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Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

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1 – 15 of 17 results
1

Chloroacetic acid, 99+%

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.5 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

PubChem CID 300
CAS 79-11-8
Molecular Weight (g/mol) 94.5
ChEBI CHEBI:27869
MDL Number MFCD00002683
SMILES C(C(=O)O)Cl
Synonym chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name 2-chloroacetic acid
InChI Key FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula C2H3ClO2
2

Diethyl chloromalonate, 90%

CAS: 14064-10-9 Molecular Formula: C7H11ClO4 Molecular Weight (g/mol): 194.61 InChI Key: WLWCQKMQYZFTDR-UHFFFAOYSA-N Synonym: diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester PubChem CID: 84182 IUPAC Name: diethyl 2-chloropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Cl

PubChem CID 84182
CAS 14064-10-9
Molecular Weight (g/mol) 194.61
SMILES CCOC(=O)C(C(=O)OCC)Cl
Synonym diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester
IUPAC Name diethyl 2-chloropropanedioate
InChI Key WLWCQKMQYZFTDR-UHFFFAOYSA-N
Molecular Formula C7H11ClO4
3

Isopropyl bromoacetate, 97%

CAS: 29921-57-1 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00009886 InChI Key: JCWLEWKPXYZHGQ-UHFFFAOYSA-N Synonym: isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate PubChem CID: 121593 IUPAC Name: propan-2-yl 2-bromoacetate SMILES: CC(C)OC(=O)CBr

PubChem CID 121593
CAS 29921-57-1
Molecular Weight (g/mol) 181.03
MDL Number MFCD00009886
SMILES CC(C)OC(=O)CBr
Synonym isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate
IUPAC Name propan-2-yl 2-bromoacetate
InChI Key JCWLEWKPXYZHGQ-UHFFFAOYSA-N
Molecular Formula C5H9BrO2
4

Chloroacetic acid, 99+%, ACS reagent

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.5 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

PubChem CID 300
CAS 79-11-8
Molecular Weight (g/mol) 94.5
ChEBI CHEBI:27869
SMILES C(C(=O)O)Cl
Synonym chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name 2-chloroacetic acid
InChI Key FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula C2H3ClO2
5

Chloroacetic acid, 99%, flakes

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.5 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

PubChem CID 300
CAS 79-11-8
Molecular Weight (g/mol) 94.5
ChEBI CHEBI:27869
MDL Number MFCD00002683
SMILES C(C(=O)O)Cl
Synonym chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name 2-chloroacetic acid
InChI Key FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula C2H3ClO2
6

Ethyl iodoacetate, 98%, stabilized, Thermo Scientific Chemicals

CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI

PubChem CID 12183
CAS 623-48-3
Molecular Weight (g/mol) 214.00
MDL Number MFCD00001081
SMILES CCOC(=O)CI
Synonym ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
IUPAC Name ethyl 2-iodoacetate
InChI Key MFFXVVHUKRKXCI-UHFFFAOYSA-N
Molecular Formula C4H7IO2
7

chlorodifluoroacetic acid sodium salt, 96%

CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.46 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]

PubChem CID 2734985
CAS 1895-39-2
Molecular Weight (g/mol) 152.46
MDL Number MFCD00064771
SMILES C(=O)(C(F)(F)Cl)[O-].[Na+]
Synonym sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium
IUPAC Name sodium;2-chloro-2,2-difluoroacetate
InChI Key MRTAVLDNYYEJHK-UHFFFAOYSA-M
Molecular Formula C2ClF2NaO2
8

Palladium(II) trifluoroacetate, 97%

CAS: 42196-31-6 Molecular Formula: C4F6O4Pd Molecular Weight (g/mol): 332.45 MDL Number: MFCD00013204 InChI Key: PBDBXAQKXCXZCJ-UHFFFAOYSA-L Synonym: palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d PubChem CID: 2733347 IUPAC Name: palladium(2+);2,2,2-trifluoroacetate SMILES: [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

PubChem CID 2733347
CAS 42196-31-6
Molecular Weight (g/mol) 332.45
MDL Number MFCD00013204
SMILES [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d
IUPAC Name palladium(2+);2,2,2-trifluoroacetate
InChI Key PBDBXAQKXCXZCJ-UHFFFAOYSA-L
Molecular Formula C4F6O4Pd
9

Benzyl 2-bromoacetate, 96%

CAS: 5437-45-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.08 MDL Number: MFCD00000190 InChI Key: JHVLLYQQQYIWKX-UHFFFAOYSA-N Synonym: benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate PubChem CID: 62576 IUPAC Name: benzyl 2-bromoacetate SMILES: C1=CC=C(C=C1)COC(=O)CBr

PubChem CID 62576
CAS 5437-45-6
Molecular Weight (g/mol) 229.08
MDL Number MFCD00000190
SMILES C1=CC=C(C=C1)COC(=O)CBr
Synonym benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate
IUPAC Name benzyl 2-bromoacetate
InChI Key JHVLLYQQQYIWKX-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
10

Benzyl chloroacetate, 98%

CAS: 140-18-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00157062 InChI Key: SOGXBRHOWDEKQB-UHFFFAOYSA-N Synonym: benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate PubChem CID: 8786 IUPAC Name: benzyl 2-chloroacetate SMILES: C1=CC=C(C=C1)COC(=O)CCl

PubChem CID 8786
CAS 140-18-1
Molecular Weight (g/mol) 184.62
MDL Number MFCD00157062
SMILES C1=CC=C(C=C1)COC(=O)CCl
Synonym benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate
IUPAC Name benzyl 2-chloroacetate
InChI Key SOGXBRHOWDEKQB-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
11

2-Chloro-2-ethoxyacetic acid ethyl ester, 90%, remainder mainly ethyl diethoxyacetat, Thermo Scientific Chemicals

CAS: 34006-60-5 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00043953 InChI Key: WDCHMODANTVRTF-UHFFFAOYNA-N Synonym: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester PubChem CID: 2724873 IUPAC Name: ethyl 2-(1-chloroethoxy)acetate SMILES: CCOC(=O)COC(C)Cl

PubChem CID 2724873
CAS 34006-60-5
Molecular Weight (g/mol) 166.60
MDL Number MFCD00043953
SMILES CCOC(=O)COC(C)Cl
Synonym 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester
IUPAC Name ethyl 2-(1-chloroethoxy)acetate
InChI Key WDCHMODANTVRTF-UHFFFAOYNA-N
Molecular Formula C6H11ClO3
12

Isopropyl 2-bromo-2-methylpropanoate, 97%, Thermo Scientific™

CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br

PubChem CID 2796293
CAS 51368-55-9
Molecular Weight (g/mol) 209.08
MDL Number MFCD00055235
SMILES CC(C)OC(=O)C(C)(C)Br
Synonym isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester
IUPAC Name propan-2-yl 2-bromo-2-methylpropanoate
InChI Key UNZJYKKJZGIFCG-UHFFFAOYSA-N
Molecular Formula C7H13BrO2
13

Ethyl 2-chloro-2-(hydroxyimino)acetate, 97%

CAS: 14337-43-0 Molecular Formula: C4H6ClNO3 Molecular Weight (g/mol): 151.55 MDL Number: MFCD00010209 InChI Key: UXOLDCOJRAMLTQ-UTCJRWHESA-N Synonym: ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate PubChem CID: 9576005 IUPAC Name: ethyl (2Z)-2-chloro-2-hydroxyiminoacetate SMILES: CCOC(=O)C(\Cl)=N\O

PubChem CID 9576005
CAS 14337-43-0
Molecular Weight (g/mol) 151.55
MDL Number MFCD00010209
SMILES CCOC(=O)C(\Cl)=N\O
Synonym ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate
IUPAC Name ethyl (2Z)-2-chloro-2-hydroxyiminoacetate
InChI Key UXOLDCOJRAMLTQ-UTCJRWHESA-N
Molecular Formula C4H6ClNO3
14

Ethyl 2,2-difluoropropionate, 97%

CAS: 28781-85-3 Molecular Formula: C5H8F2O2 Molecular Weight (g/mol): 138.114 MDL Number: MFCD06657970 InChI Key: ISVLDAIKRGXNCZ-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester PubChem CID: 2761188 IUPAC Name: ethyl 2,2-difluoropropanoate SMILES: CCOC(=O)C(C)(F)F

PubChem CID 2761188
CAS 28781-85-3
Molecular Weight (g/mol) 138.114
MDL Number MFCD06657970
SMILES CCOC(=O)C(C)(F)F
Synonym 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester
IUPAC Name ethyl 2,2-difluoropropanoate
InChI Key ISVLDAIKRGXNCZ-UHFFFAOYSA-N
Molecular Formula C5H8F2O2
15

Allyl chloroacetate, 98%, Thermo Scientific™

CAS: 2916-14-5 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.56 MDL Number: MFCD00058936 InChI Key: VMBJJCDVORDOCF-UHFFFAOYSA-N Synonym: allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester PubChem CID: 76206 IUPAC Name: prop-2-enyl 2-chloroacetate SMILES: C=CCOC(=O)CCl

PubChem CID 76206
CAS 2916-14-5
Molecular Weight (g/mol) 134.56
MDL Number MFCD00058936
SMILES C=CCOC(=O)CCl
Synonym allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester
IUPAC Name prop-2-enyl 2-chloroacetate
InChI Key VMBJJCDVORDOCF-UHFFFAOYSA-N
Molecular Formula C5H7ClO2