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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
1 2-Dihalobenzenes (2)
2-phenoxypropionic acids (2)
3-phenoxypropionic acids (3)
Acetophenones (33)
Acylaminobenzoic acid and derivatives (36)
Alkyldimethylbenzylammonium halides (9)
Aminobenzoic acids and derivatives (282)
Aminotoluenes (266)
Anilides (127)
Aniline and substituted anilines (397)
Benzamides (97)
Benzenesulfonamides (482)
Benzenesulfonic acids and derivatives (66)
Benzenesulfonyl compounds (183)
Benzoic acid esters (159)
Benzoic acids (54)
Benzophenones (301)
Benzoyl derivatives (1,064)
Benzoyl peroxides (6)
Biphenols (11)
Biphenyls and derivatives (138)
Bromobenzenes (787)
Butyrophenones (9)
Cumenes (135)
Cyclohexylphenols (6)
Diphenylacetonitriles (12)
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Diphenylmethanes (365)
Fluorobenzenes (1,311)
Iodobenzenes (453)
Methoxybenzenes (543)
Methoxybenzoic acids and derivatives (257)
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Nitrobenzoic acids and derivatives (438)
Nitrotoluenes (196)
N-phenylthioureas (106)
N-phenylureas (38)
Peroxybenzoic acids and derivatives (5)
Phenoxides (9)
Phenoxy compounds (492)
Phenoxyacetic acid derivatives (127)
Phenylacetaldehydes (36)
Phenylacetamides (25)
Phenylbutylamines (8)
Phenylcarbamic acid esters (87)
Phenylhydrazines (229)
Phenylmethylamines (1,024)
Phenylphosphines and derivatives (636)
Phenylpropanes (550)
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Phenylpropylamines (13)
Phenylpyruvic acid derivatives (10)
Phthalic acid and derivatives (99)
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Sulfanilides (139)
Sulfanylbenzoic acids and derivatives (67)
Terphenyls (28)
Thiobenzoic acids and derivatives (5)
Toluamides (53)
Toluene diisocyanates (9)
Tosyl compounds (41)
Trifluoromethylbenzenes (1,969)
Hydroxybenzoic Acid Derivatives (1,706)
Benzyl Derivatives (1,832)

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1 – 15 of 8,281 results
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Salicylic acid, sodium salt, 99+%, Thermo Scientific Chemicals

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
2
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Methyl 4-hydroxybenzoate, sodium salt, 99%, Thermo Scientific Chemicals

CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 MDL Number: MFCD00016470 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M Synonym: methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk PubChem CID: 23663626 IUPAC Name: sodium;4-methoxycarbonylphenolate SMILES: COC(=O)C1=CC=C(C=C1)[O-].[Na+]

EDGE
PubChem CID 23663626
CAS 5026-62-0
Molecular Weight (g/mol) 174.13
MDL Number MFCD00016470
SMILES COC(=O)C1=CC=C(C=C1)[O-].[Na+]
Synonym methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk
IUPAC Name sodium;4-methoxycarbonylphenolate
InChI Key PESXGULMKCKJCC-UHFFFAOYSA-M
Molecular Formula C8H7NaO3
3
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Acetylsalicylic acid, 99%, Thermo Scientific Chemicals

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

PubChem CID 2244
CAS 50-78-2
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:15365
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
Synonym aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name 2-acetyloxybenzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
4
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Niclosamide, 97+%, Thermo Scientific Chemicals

CAS: 50-65-7 Molecular Formula: C13H8Cl2N2O4 Molecular Weight (g/mol): 327.12 MDL Number: MFCD00057597 InChI Key: RJMUSRYZPJIFPJ-UHFFFAOYSA-N Synonym: niclosamide,5-chloro-n-2-chloro-4-nitrophenyl-2-hydroxybenzamide,niclocide,bayluscid,phenasal,tredemine,fenasal,yomesan,dichlosale,helmiantin PubChem CID: 4477 IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O

PubChem CID 4477
CAS 50-65-7
Molecular Weight (g/mol) 327.12
MDL Number MFCD00057597
SMILES OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym niclosamide,5-chloro-n-2-chloro-4-nitrophenyl-2-hydroxybenzamide,niclocide,bayluscid,phenasal,tredemine,fenasal,yomesan,dichlosale,helmiantin
IUPAC Name 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
InChI Key RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Molecular Formula C13H8Cl2N2O4
5

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
6

Ambrisentan, Thermo Scientific Chemicals

CAS: 177036-94-1 Molecular Formula: C22H22N2O4 Molecular Weight (g/mol): 378.43 InChI Key: OUJTZYPIHDYQMC-UHFFFAOYNA-N IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid SMILES: COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1

CAS 177036-94-1
Molecular Weight (g/mol) 378.43
SMILES COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
InChI Key OUJTZYPIHDYQMC-UHFFFAOYNA-N
Molecular Formula C22H22N2O4
7

1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 97+%, Thermo Scientific Chemicals

CAS: 622-21-9 Molecular Formula: C21H18O Molecular Weight (g/mol): 286.374 MDL Number: MFCD00004792 InChI Key: RLJALOQFYHCJKG-XCBHXTLASA-N Synonym: acetone, dicinnamylidene,1z,3e,6e,8e-1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,3,6,8-nonatetraen-5-one, 1,9-diphenyl,1,6,8-nonatetraen-5-one, 1,9-diphenyl,1z,3e,6e,8e-1,9-diphenyl-5-nona-1,3,6,8-tetraenone PubChem CID: 6436875 IUPAC Name: (1Z,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one SMILES: C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2

PubChem CID 6436875
CAS 622-21-9
Molecular Weight (g/mol) 286.374
MDL Number MFCD00004792
SMILES C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2
Synonym acetone, dicinnamylidene,1z,3e,6e,8e-1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,3,6,8-nonatetraen-5-one, 1,9-diphenyl,1,6,8-nonatetraen-5-one, 1,9-diphenyl,1z,3e,6e,8e-1,9-diphenyl-5-nona-1,3,6,8-tetraenone
IUPAC Name (1Z,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
InChI Key RLJALOQFYHCJKG-XCBHXTLASA-N
Molecular Formula C21H18O
8

2-Nitrobenzaldehyde, 97%, Thermo Scientific™

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.121
ChEBI CHEBI:66927
MDL Number MFCD00007132
SMILES C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name 2-nitrobenzaldehyde
InChI Key CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula C7H5NO3
9

Lilolidine, 98%, Thermo Scientific™

CAS: 5840-01-7 Molecular Formula: C11H11N Molecular Weight (g/mol): 157.21 InChI Key: QCCKSFHMARIKSK-UHFFFAOYSA-N

CAS 5840-01-7
Molecular Weight (g/mol) 157.21
InChI Key QCCKSFHMARIKSK-UHFFFAOYSA-N
Molecular Formula C11H11N
10

Benzopinacole, 98%, Thermo Scientific Chemicals

CAS: 464-72-2 Molecular Formula: C26H22O2 Molecular Weight (g/mol): 366.45 MDL Number: MFCD00004448 InChI Key: MFEWNFVBWPABCX-UHFFFAOYSA-N Synonym: benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl PubChem CID: 94766 IUPAC Name: 1,1,2,2-tetraphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

PubChem CID 94766
CAS 464-72-2
Molecular Weight (g/mol) 366.45
MDL Number MFCD00004448
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
Synonym benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl
IUPAC Name 1,1,2,2-tetraphenylethane-1,2-diol
InChI Key MFEWNFVBWPABCX-UHFFFAOYSA-N
Molecular Formula C26H22O2
11

m-Acetotoluidide, Thermo Scientific™

CAS: 537-92-8 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00014962 InChI Key: ALMHSXDYCFOZQD-UHFFFAOYSA-N Synonym: 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene PubChem CID: 10843 IUPAC Name: N-(3-methylphenyl)acetamide SMILES: CC1=CC(=CC=C1)NC(=O)C

PubChem CID 10843
CAS 537-92-8
Molecular Weight (g/mol) 149.19
MDL Number MFCD00014962
SMILES CC1=CC(=CC=C1)NC(=O)C
Synonym 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene
IUPAC Name N-(3-methylphenyl)acetamide
InChI Key ALMHSXDYCFOZQD-UHFFFAOYSA-N
Molecular Formula C9H11NO
12

Dinitrodurene, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

PubChem CID 79593
CAS 5465-13-4
SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Synonym 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
IUPAC Name 1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI Key AEPQXGFMAZTUEA-UHFFFAOYSA-N
13

4-bromobenzaldehyde, Thermo Scientific™

CAS: 1122-91-4 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 InChI Key: ZRYZBQLXDKPBDU-UHFFFAOYSA-N Synonym: p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd PubChem CID: 70741 IUPAC Name: 4-bromobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Br

PubChem CID 70741
CAS 1122-91-4
Molecular Weight (g/mol) 185.02
SMILES C1=CC(=CC=C1C=O)Br
Synonym p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd
IUPAC Name 4-bromobenzaldehyde
InChI Key ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Molecular Formula C7H5BrO
14

Bambuterol hydrochloride, Thermo Scientific Chemicals

CAS: 81732-46-9 Molecular Formula: C18H30ClN3O5 Molecular Weight (g/mol): 403.90 MDL Number: MFCD03427293 InChI Key: LBARATORRVNNQM-UHFFFAOYNA-N IUPAC Name: hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride SMILES: [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C

CAS 81732-46-9
Molecular Weight (g/mol) 403.90
MDL Number MFCD03427293
SMILES [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
IUPAC Name hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride
InChI Key LBARATORRVNNQM-UHFFFAOYNA-N
Molecular Formula C18H30ClN3O5
15

Pentafluorophenylhydrazine, 97%, Thermo Scientific Chemicals

CAS: 828-73-9 Molecular Formula: C6H3F5N2 Molecular Weight (g/mol): 198.096 MDL Number: MFCD00007574 InChI Key: BYCUWCJUPSUFBX-UHFFFAOYSA-N Synonym: pentafluorophenylhydrazine,pentafluorophenyl hydrazine,perfluorophenyl hydrazine,hydrazine, pentafluorophenyl,2,3,4,5,6-pentafluorophenyl hydrazine,1-2,3,4,5,6-pentafluorophenyl hydrazine,pubchem3316,pentafluorophenyl-hydrazine PubChem CID: 13236 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)hydrazine SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)NN

PubChem CID 13236
CAS 828-73-9
Molecular Weight (g/mol) 198.096
MDL Number MFCD00007574
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)NN
Synonym pentafluorophenylhydrazine,pentafluorophenyl hydrazine,perfluorophenyl hydrazine,hydrazine, pentafluorophenyl,2,3,4,5,6-pentafluorophenyl hydrazine,1-2,3,4,5,6-pentafluorophenyl hydrazine,pubchem3316,pentafluorophenyl-hydrazine
IUPAC Name (2,3,4,5,6-pentafluorophenyl)hydrazine
InChI Key BYCUWCJUPSUFBX-UHFFFAOYSA-N
Molecular Formula C6H3F5N2