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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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Molecular Weight (g/mol)

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Physical Form

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Boiling Point

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1 – 15 of 217 results
1
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3-Carboxy-5-nitrobenzeneboronic acid, 97%

CAS: 101084-81-5 Molecular Formula: C7H6BNO6 Molecular Weight (g/mol): 210.936 MDL Number: MFCD00757433 InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonym: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 PubChem CID: 2773315 IUPAC Name: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O

PubChem CID 2773315
CAS 101084-81-5
Molecular Weight (g/mol) 210.936
MDL Number MFCD00757433
SMILES B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
Synonym 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139
IUPAC Name 3-borono-5-nitrobenzoic acid
InChI Key WNIFCLWDGNHGMX-UHFFFAOYSA-N
Molecular Formula C7H6BNO6
2

5,5'-Dithiobis(2-nitrobenzoic Acid) 98.0+%, TCI America™

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

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
3
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1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989

CAS 4965-09-7
MDL Number MFCD00798989
4
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Methyl 3-fluoro-4-nitrobenzoate, 97%

CAS: 185629-31-6 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD08444027 InChI Key: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC Name: methyl 3-fluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F

PubChem CID 592761
CAS 185629-31-6
Molecular Weight (g/mol) 199.137
MDL Number MFCD08444027
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
IUPAC Name methyl 3-fluoro-4-nitrobenzoate
InChI Key FKMZNQQOPCCUTD-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
5
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4-Bromo-3-nitrobenzoic acid, 95%

CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

PubChem CID 232986
CAS 6319-40-0
Molecular Weight (g/mol) 246.016
MDL Number MFCD00272137
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
Synonym 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid #
InChI Key RVCTZJVBWNFYRU-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
6
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2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

PubChem CID 19870
CAS 3970-35-2
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007069
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
7
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5-Amino-2-nitrobenzoic acid, 95%

CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]

PubChem CID 83298
CAS 13280-60-9
Molecular Weight (g/mol) 182.135
MDL Number MFCD00035748
SMILES C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
Synonym 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid
InChI Key KZZWQCKYLNIOBT-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
8
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Ethyl 3-nitrobenzoate, 98+%

CAS: 618-98-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00014702 InChI Key: MKBIJCPQTPFQKQ-UHFFFAOYSA-N Synonym: ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline PubChem CID: 69261 IUPAC Name: ethyl 3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 69261
CAS 618-98-4
Molecular Weight (g/mol) 195.174
MDL Number MFCD00014702
SMILES CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline
IUPAC Name ethyl 3-nitrobenzoate
InChI Key MKBIJCPQTPFQKQ-UHFFFAOYSA-N
Molecular Formula C9H9NO4
9
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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

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
10
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2-Chloro-5-nitrobenzoic acid, 98+%

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 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) 201.562
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
11
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3-Amino-5-nitrobenzoic acid, 98%

CAS: 618-84-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00017025 InChI Key: ZNVHAQRPXAQKRU-UHFFFAOYSA-N Synonym: 3-amino-5-nitrobenzoic acid,3-amino-5-nitro-benzoic acid,benzoic acid, 3-amino-5-nitro,3-amino-5-nitrobenzoicacid,5-amino-3-nitrobenzoic acid,acmc-20ana2,3-nitro-5-aminobenzoic acid,5-nitro-3-aminobenzoic acid,benzoic acid,3-amino-5-nitro,3-amino-5-nitrobenzoic acid 1g PubChem CID: 239342 SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O

PubChem CID 239342
CAS 618-84-8
Molecular Weight (g/mol) 182.135
MDL Number MFCD00017025
SMILES C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O
Synonym 3-amino-5-nitrobenzoic acid,3-amino-5-nitro-benzoic acid,benzoic acid, 3-amino-5-nitro,3-amino-5-nitrobenzoicacid,5-amino-3-nitrobenzoic acid,acmc-20ana2,3-nitro-5-aminobenzoic acid,5-nitro-3-aminobenzoic acid,benzoic acid,3-amino-5-nitro,3-amino-5-nitrobenzoic acid 1g
InChI Key ZNVHAQRPXAQKRU-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
12

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
13

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
14

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

PubChem CID 219633
CAS 606-18-8
Molecular Weight (g/mol) 182.13
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
15
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4-Chloro-3,5-dinitrobenzoic acid, 97%

CAS: 118-97-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00007080 InChI Key: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 PubChem CID: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

PubChem CID 8377
CAS 118-97-8
Molecular Weight (g/mol) 246.559
MDL Number MFCD00007080
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
Synonym 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176
InChI Key PCTFIHOVQYYAMH-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O6