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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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Keyword Search:
1 – 15 of 217 results
1

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
2

4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 878572-17-9 Molecular Formula: C8H3F4NO4 Molecular Weight (g/mol): 253.109 MDL Number: MFCD08282778 InChI Key: XCZRYPKVIJEHSU-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl PubChem CID: 24721083 IUPAC Name: 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O

PubChem CID 24721083
CAS 878572-17-9
Molecular Weight (g/mol) 253.109
MDL Number MFCD08282778
SMILES C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O
Synonym 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl
IUPAC Name 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI Key XCZRYPKVIJEHSU-UHFFFAOYSA-N
Molecular Formula C8H3F4NO4
3

3-Hydroxy-2-nitrobenzoic acid, 98+%

CAS: 602-00-6 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017003 InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

PubChem CID 293291
CAS 602-00-6
Molecular Weight (g/mol) 183.119
MDL Number MFCD00017003
SMILES C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Synonym 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid
InChI Key KPDBKQKRDJPBRM-UHFFFAOYSA-N
Molecular Formula C7H5NO5
4

2-Methoxy-4-nitrobenzoic acid, 98%

CAS: 2597-56-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00216573 InChI Key: KPJXEWJRJKEOCD-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb PubChem CID: 75776 IUPAC Name: 2-methoxy-4-nitrobenzoic acid SMILES: COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

PubChem CID 75776
CAS 2597-56-0
Molecular Weight (g/mol) 197.15
MDL Number MFCD00216573
SMILES COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb
IUPAC Name 2-methoxy-4-nitrobenzoic acid
InChI Key KPJXEWJRJKEOCD-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7433
CAS 99-34-3
Molecular Weight (g/mol) 212.12
ChEBI CHEBI:73914
MDL Number MFCD00007253
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name 3,5-dinitrobenzoic acid
InChI Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
6

2-Chloro-4-fluoro-5-nitrobenzoic acid, 97%, Thermo Scientific™

CAS: 114776-15-7 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115715 InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N PubChem CID: 7210828 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

PubChem CID 7210828
CAS 114776-15-7
Molecular Weight (g/mol) 219.552
MDL Number MFCD04115715
SMILES C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
InChI Key SYZKAFCPWNFONG-UHFFFAOYSA-N
Molecular Formula C7H3ClFNO4
7

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
8

4-Bromomethyl-3-nitrobenzoic acid, 97%

CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

PubChem CID 132386
CAS 55715-03-2
Molecular Weight (g/mol) 260.043
MDL Number MFCD00216575
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Synonym 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid
InChI Key QMAHVAFURJBOFV-UHFFFAOYSA-N
Molecular Formula C8H6BrNO4
9

Methyl 2-bromo-5-nitrobenzoate, 98+%

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

PubChem CID 245494
CAS 6942-36-5
Molecular Weight (g/mol) 260.043
MDL Number MFCD00010867
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name methyl 2-bromo-5-nitrobenzoate
InChI Key VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula C8H6BrNO4
10

2-Amino-4-nitrobenzoic acid, 97+%

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

PubChem CID 12076
CAS 619-17-0
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:75335
MDL Number MFCD00007262
SMILES NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name 2-amino-4-nitrobenzoic acid
InChI Key UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
11

4-Hydroxy-3-nitrobenzoic acid, 98%

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

PubChem CID 12033
CAS 616-82-0
Molecular Weight (g/mol) 183.12
MDL Number MFCD00007119
SMILES OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name 4-hydroxy-3-nitrobenzoic acid
InChI Key QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
12

Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals

CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

PubChem CID 13685347
CAS 105655-17-2
Molecular Weight (g/mol) 275.058
MDL Number MFCD08443938
SMILES COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
Synonym methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester
IUPAC Name methyl 4-amino-3-bromo-5-nitrobenzoate
InChI Key PRTLMEWWYBJZPN-UHFFFAOYSA-N
Molecular Formula C8H7BrN2O4
13

2-Fluoro-6-nitrobenzoic acid, 98%

CAS: 385-02-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD01862079 InChI Key: MPDZCNPDHUUPRL-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b PubChem CID: 603758 SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]

PubChem CID 603758
CAS 385-02-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD01862079
SMILES C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
Synonym 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b
InChI Key MPDZCNPDHUUPRL-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
14

3-Nitrosalicylic acid, 98%

CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

PubChem CID 6807
CAS 85-38-1
Molecular Weight (g/mol) 183.12
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
15

Methyl 4-fluoro-3-nitrobenzoate, 98%

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O

PubChem CID 5219721
CAS 329-59-9
Molecular Weight (g/mol) 199.14
MDL Number MFCD00196161
SMILES COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
Synonym methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate
IUPAC Name methyl 4-fluoro-3-nitrobenzoate
InChI Key CNJJSTPBUHAEFH-UHFFFAOYSA-N
Molecular Formula C8H6FNO4