Nitrobenzoic acids and derivatives

Description:

Compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzoic acids and derivatives ⮕ Nitrobenzoic acids and derivatives

Popular Products

1-Naphthyl 3,5-dinitrobenzoate
CAS: 93261-39-3 PubChem CID: 1822643 Formula: C₁₇H₁₀N₂O₆ Molecular Weight: 338.28

≥99%

Out of Stock Item #: N1333328

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IUPAC Name

naphthalen-1-yl 3,5-dinitrobenzoate

SMILES

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChIKey
WYKPSINHJUWDHK-UHFFFAOYSA-N

InChI

1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
Methyl 4-ethyl-3-nitrobenzoate
CAS: 51885-79-1 Formula: C₁₀H₁₁NO₄ Molecular Weight: 209.2

≥95%

Out of Stock Item #: M770340

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SMILES

CCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChIKey
YAGPCEXMZGXMLN-UHFFFAOYSA-N

InChI

1S/C10H11NO4/c1-3-7-4-5-8(10(12)15-2)6-9(7)11(13)14/h4-6H,3H2,1-2H3
Methyl 3-methoxy-4-(methylamino)-5-nitrobenzoate
CAS: 1549812-20-5 PubChem CID: 86340167 Formula: C₁₀H₁₂N₂O₅ Molecular Weight: 240.21

≥98%

Out of Stock Item #: M768773

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Technical Identifiers

IUPAC Name

methyl 3-methoxy-4-(methylamino)-5-nitrobenzoate

SMILES

CNC1=C(C=C(C=C1OC)C(=O)OC)[N+](=O)[O-]

InChIKey
YIRXEGUDDPQTBF-UHFFFAOYSA-N

InChI

1S/C10H12N2O5/c1-11-9-7(12(14)15)4-6(10(13)17-3)5-8(9)16-2/h4-5,11H,1-3H3
Methyl 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzoate
CAS: 214470-57-2 PubChem CID: 23032992 Formula: C₁₂H₁₄ClNO₆ Molecular Weight: 303.69

≥95%

Out of Stock Item #: M770826

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IUPAC Name

methyl 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzoate

SMILES

COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OCCCCl

InChIKey
UMBVDMOFTQTPPF-UHFFFAOYSA-N

InChI

1S/C12H14ClNO6/c1-18-10-6-8(12(15)19-2)9(14(16)17)7-11(10)20-5-3-4-13/h6-7H,3-5H2,1-2H3
5-Chloro-2-methoxy-3-nitrobenzoic acid
CAS: 89894-14-4 PubChem CID: 43449069 Formula: C₈H₆ClNO₅ Molecular Weight: 231.59

≥95%

Out of Stock Item #: C768816

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IUPAC Name

5-chloro-2-methoxy-3-nitrobenzoic acid

SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)O

InChIKey
BNPVOSZKWOIXHK-UHFFFAOYSA-N

InChI

1S/C8H6ClNO5/c1-15-7-5(8(11)12)2-4(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
2，6-Dinitroterephthalic acid
CAS: 69824-99-3 PubChem CID: 277931 Formula: C₈H₄N₂O₈ Molecular Weight: 256.13

≥95%

Out of Stock Item #: D770471

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IUPAC Name

2,6-dinitroterephthalic acid

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O

InChIKey
DTFDTKLNTMAPQO-UHFFFAOYSA-N

InChI

1S/C8H4N2O8/c11-7(12)3-1-4(9(15)16)6(8(13)14)5(2-3)10(17)18/h1-2H,(H,11,12)(H,13,14)
(R)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate
CAS: 106268-96-6 PubChem CID: 13779866 Formula: C₁₁H₁₁NO₅ Molecular Weight: 237.21

Solid ≥98%

Out of Stock Item #: M768792

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IUPAC Name

[(2R)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate

SMILES

CC1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChIKey
PUBTVFBOTFDPTA-NSHDSACASA-N

InChI

1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1
4-Isopropyl-2-nitrobenzoic acid
CAS: 35480-95-6 Formula: C₁₀H₁₁NO₄ Molecular Weight: 209.20

≥98%

Out of Stock Item #: I770399

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Technical Identifiers

SMILES

CC(C)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

InChIKey
LMEMHNYHGJJMEK-UHFFFAOYSA-N

InChI

1S/C10H11NO4/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15/h3-6H,1-2H3,(H,12,13)
4-Chloro-5-fluoro-2-nitrobenzoic acid
CAS: 129951-45-7 EC Number: 878-732-2 PubChem CID: 11790699 Formula: C₇H₃ClFNO₄ Molecular Weight: 219.55

≥95%

Out of Stock Item #: C770878

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IUPAC Name

4-chloro-5-fluoro-2-nitrobenzoic acid

SMILES

C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])C(=O)O

InChIKey
GGTQVIUWLUDQKR-UHFFFAOYSA-N

InChI

1S/C7H3ClFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
4-Chloro-3-nitro-5-sulfamoylbenzoic acid
CAS: 22892-96-2 EC Number: 245-310-9 PubChem CID: 89893 Formula: C₇H₅ClN₂O₆S Molecular Weight: 280.64

Solid ≥95%

Out of Stock Item #: C768529

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IUPAC Name

4-chloro-3-nitro-5-sulfamoylbenzoic acid

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O

InChIKey
ACYLUAGCBGTEJF-UHFFFAOYSA-N

InChI

1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
5,5′-Dithio-bis-(2-nitrobenzoic Acid)
CAS: 69-78-3 EC Number: 200-714-4 Formula: C₁₄H₈N₂O₈S₂ Molecular Weight: 396.35

Solid Sulfhydryl reagent used to characterize reactive SH groups.

Out of Stock Item #: D755430

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IUPAC Name

5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid

SMILES

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChIKey
KIUMMUBSPKGMOY-UHFFFAOYSA-N

InChI

1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
Methyl 4-(bromomethyl)-3-nitrobenzoate
CAS: 88089-94-5 PubChem CID: 13399987 Formula: C₉H₈NO₄Br Molecular Weight: 274.06

≥95%

Out of Stock Item #: M727470

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Technical Identifiers

IUPAC Name

methyl 4-(bromomethyl)-3-nitrobenzoate

SMILES

COC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-]

InChIKey
HYGYRBBZOHUETE-UHFFFAOYSA-N

InChI

1S/C9H8BrNO4/c1-15-9(12)6-2-3-7(5-10)8(4-6)11(13)14/h2-4H,5H2,1H3

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