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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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1 – 15 of 70 results
1

Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water

CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 70014
CAS 827-95-2
Molecular Weight (g/mol) 189.10
MDL Number MFCD00150535,MFCD00051097
SMILES [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733
IUPAC Name sodium;3-nitrobenzoate
InChI Key MUADFEZFSKAZLT-UHFFFAOYSA-M
Molecular Formula C7H4NNaO4
2

2-Chloro-3,5-dinitrobenzoic acid, 97% (dry wt.), may cont. up to ca 5% water

CAS: 2497-91-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.56 MDL Number: MFCD00007070 InChI Key: ADTKEYLCJYYHHH-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci PubChem CID: 17247 IUPAC Name: 2-chloro-3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 17247
CAS 2497-91-8
Molecular Weight (g/mol) 246.56
MDL Number MFCD00007070
SMILES OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O
Synonym 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci
IUPAC Name 2-chloro-3,5-dinitrobenzoic acid
InChI Key ADTKEYLCJYYHHH-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O6
3

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
4

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-]

EDGE
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

5-Nitrosalicylic acid, 99%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

PubChem CID 7318
CAS 96-97-9
Molecular Weight (g/mol) 183.12
ChEBI CHEBI:61281
MDL Number MFCD00007338
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
8

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
9

4-Fluoro-3-nitrobenzoic acid, 98%

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67987
CAS 453-71-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00007058
SMILES OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name 4-fluoro-3-nitrobenzoic acid
InChI Key BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
10

5-Nitroisophthalic acid, 97+%

CAS: 618-88-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007254 InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N Synonym: 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u PubChem CID: 12069 SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 12069
CAS 618-88-2
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007254
SMILES C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u
InChI Key NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Formula C8H5NO6
11

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 7319
CAS 96-98-0
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007174
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula C8H7NO4
12

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

PubChem CID 8497
CAS 121-92-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007251
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
13

2-Bromo-5-nitrobenzoic acid, Thermo Scientific™

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

PubChem CID 243025
CAS 943-14-6
Molecular Weight (g/mol) 246.02
MDL Number MFCD00134558
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
14

2-Amino-5-nitrobenzoic acid, 98%

CAS: 616-79-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017039 InChI Key: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonym: 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid PubChem CID: 12032 ChEBI: CHEBI:61280 IUPAC Name: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

PubChem CID 12032
CAS 616-79-5
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:61280
MDL Number MFCD00017039
SMILES NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Synonym 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid
IUPAC Name 2-amino-5-nitrobenzoic acid
InChI Key RUCHWTKMOWXHLU-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
15

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

PubChem CID 17287
CAS 2516-96-3
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007294
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4