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Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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Physical Form

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Grade

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1 – 15 of 194 results
1

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

EDGE
PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
2

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 69260
CAS 618-95-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007250
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name methyl 3-nitrobenzoate
InChI Key AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula C8H7NO4
3

4-Nitrobenzoic acid, 99%

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
5

3-Chloro-2-nitrobenzoic acid, 97%

CAS: 4771-47-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007087 InChI Key: VCHSXYHBMFKRBK-UHFFFAOYSA-N Synonym: 3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n PubChem CID: 20902 SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O

PubChem CID 20902
CAS 4771-47-5
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007087
SMILES C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O
Synonym 3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n
InChI Key VCHSXYHBMFKRBK-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
6

4-Chloro-2-nitrobenzoic acid, 97%

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

PubChem CID 80475
CAS 6280-88-2
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007214
SMILES OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name 4-chloro-2-nitrobenzoic acid
InChI Key JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
7

2-Chloro-4-nitrobenzoic acid, 98%

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

PubChem CID 7448
CAS 99-60-5
Molecular Weight (g/mol) 201.57
MDL Number MFCD00007209
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
8

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 18370
CAS 3113-71-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007168
SMILES CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
9

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 11087
CAS 552-16-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:25620
MDL Number MFCD00007137
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
10

Methyl 2-hydroxy-5-nitrobenzoate, 98%

CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O

PubChem CID 87041
CAS 17302-46-4
Molecular Weight (g/mol) 197.146
MDL Number MFCD00024695
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate
InChI Key UUBFELFUKFJSRD-UHFFFAOYSA-N
Molecular Formula C8H7NO5
11

2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 519683
CAS 1975-52-6
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007371
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula C8H7NO4
12

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7457
CAS 99-77-4
Molecular Weight (g/mol) 195.17
MDL Number MFCD00007351
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name ethyl 4-nitrobenzoate
InChI Key PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula C9H9NO4
13

Methyl 4-iodo-3-nitrobenzoate, 99%

CAS: 89976-27-2 Molecular Formula: C8H6INO4 Molecular Weight (g/mol): 307.043 MDL Number: MFCD08064223 InChI Key: SCMBIQRYVKITCY-UHFFFAOYSA-N PubChem CID: 297884 IUPAC Name: methyl 4-iodo-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]

PubChem CID 297884
CAS 89976-27-2
Molecular Weight (g/mol) 307.043
MDL Number MFCD08064223
SMILES COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]
IUPAC Name methyl 4-iodo-3-nitrobenzoate
InChI Key SCMBIQRYVKITCY-UHFFFAOYSA-N
Molecular Formula C8H6INO4
14

Ethyl 4-chloro-3-nitrobenzoate, 97%, Thermo Scientific™

CAS: 16588-16-2 Molecular Formula: C9H8ClNO4 Molecular Weight (g/mol): 229.616 InChI Key: BLNLZRQIUGDTAO-UHFFFAOYSA-N Synonym: benzoic acid, 4-chloro-3-nitro-, ethyl ester,4-chloro-3-nitrobenzoic acid ethyl ester,4-chloro-3-nitro-benzoic acid ethyl ester,ethyl 4-chloranyl-3-nitro-benzoate,acmc-20a7tu,ethyl4-chloro-3-nitrobenzoate,ethyl 4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitrobenzoate,3-nitro-4-chlorobenzoic acid ethyl ester PubChem CID: 1268247 IUPAC Name: ethyl 4-chloro-3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

PubChem CID 1268247
CAS 16588-16-2
Molecular Weight (g/mol) 229.616
SMILES CCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Synonym benzoic acid, 4-chloro-3-nitro-, ethyl ester,4-chloro-3-nitrobenzoic acid ethyl ester,4-chloro-3-nitro-benzoic acid ethyl ester,ethyl 4-chloranyl-3-nitro-benzoate,acmc-20a7tu,ethyl4-chloro-3-nitrobenzoate,ethyl 4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitrobenzoate,3-nitro-4-chlorobenzoic acid ethyl ester
IUPAC Name ethyl 4-chloro-3-nitrobenzoate
InChI Key BLNLZRQIUGDTAO-UHFFFAOYSA-N
Molecular Formula C9H8ClNO4
15

3-Methoxy-4-nitrobenzoic acid, 98+%

CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 78764
CAS 5081-36-7
Molecular Weight (g/mol) 197.146
MDL Number MFCD00007353
SMILES COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
InChI Key PWURRRRGLCVBMX-UHFFFAOYSA-N
Molecular Formula C8H7NO5