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| CAS No.: | 41263-74-5 |
|---|---|
| Name: | 4-(METHYLAMINO)-3-NITROBENZOIC ACID |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8N2O4 |
| Molecular Weight: | 196.163 |
| Synonyms: | 4-(Methylamino)-3-nitrobenzoicacid;NSC 138300; |
| EINECS: | 609-904-5 |
| Density: | 1.472 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 393.7 °C at 760 mmHg |
| Flash Point: | 191.9 °C |
| Appearance: | Yellow solid |
| PSA: | 95.15000 |
| LogP: | 1.93090 |
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| Conditions | Yield |
|---|---|
| In water at 100℃; for 14h; | 100% |
| In water at 80℃; for 5h; | 100% |
| Stage #1: methylamine; 4-chloro-3-nitrobenzoate In water for 4h; Reflux; Stage #2: With sulfuric acid In water at 20℃; pH=2; Product distribution / selectivity; | 95.5% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-fluoro-4-nitrobenzoic acid; methylamine In DMF (N,N-dimethyl-formamide); water at 20℃; for 1h; Stage #2: With potassium hydrogensulfate In water pH=2; | 100% |
| Conditions | Yield |
|---|---|
| In methanol; ethanol at 20℃; for 2h; | 99% |
| In methanol at 20℃; for 18h; | 99% |
| In methanol at 20℃; for 10h; | 98% |
| Conditions | Yield |
|---|---|
| With D-myo-inositol; copper; caesium carbonate In water at 100℃; | 92% |
- 96-99-1
4-chloro-3-nitrobenzoate
- 41263-74-5
4-(methylamino)-3-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With methylamine In water | 86% |
- 36242-50-9
4-methylamino-3-nitro-benzoic acid methyl ester
- 41263-74-5
4-(methylamino)-3-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 4-methylamino-3-nitro-benzoic acid methyl ester With lithium hydroxide In tetrahydrofuran; water at 20℃; for 16h; Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=Ca. 5; | 84% |
| With lithium hydroxide In tetrahydrofuran; water at 20℃; for 16h; | 84% |
| With water; lithium hydroxide In tetrahydrofuran at 20℃; for 16h; | 84% |
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-dinitrobenzoic acid; methylamine With triethylamine In methanol; ethanol at 20℃; for 24h; Stage #2: With acetic acid In water | 81% |
- 591-09-3
nitro acetate
- 28096-56-2
4-(N,N-dimethylamino)-3-nitrobenzoic acid
- 41263-74-5
4-(methylamino)-3-nitrobenzoic acid
- 71254-71-2
ethyl 4-(methylamino)-3-nitrobenzoate
- 41263-74-5
4-(methylamino)-3-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 28096-56-2
4-(N,N-dimethylamino)-3-nitrobenzoic acid
- 41263-74-5
4-(methylamino)-3-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; sodium carbonate | |
| With nitrosyl acetate |
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Chemistry
Product Name: 4-Methylamino-3-nitrobenzoic acid (CAS NO.41263-74-5)
Molecular Formula: C8H8N2O4
Molecular Weight: 196.16g/mol
Mol File: 41263-74-5.mol
Boiling point: 393.7 °C at 760 mmHg
Flash Point: 191.9 °C
Density: 1.472 g/cm3
Index of Refraction: 1.662
Molar Refractivity: 49.33 cm3
Molar Volume: 133.2 cm3
Surface Tension: 68.7 dyne/cm
Enthalpy of Vaporization: 67.88 kJ/mol
Vapour Pressure: 6.62E-07 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of 4-Methylamino-3-nitrobenzoic acid (CAS NO.41263-74-5):
IUPAC Name: 4-(methylamino)-3-nitrobenzoic acid
Canonical SMILES: CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
InChIKey: KSMLIIWEQBYUKA-UHFFFAOYSA-N