| Identification | More | [Name]
3-Amino-4-chlorobenzoic acid | [CAS]
2840-28-0 | [Synonyms]
2-AMINO-4-CARBOXY-1-CHLOROBENZENE
3-AMINO-4-CHLOROBENZOIC ACID
4-CHLORO-3-AMINO BENZOIC ACID
5-CARBOXY-2-CHLOROANILINE
TIMTEC-BB SBB003842
Benzoic acid, 3-amino-4-chloro-
3-Amino-4-chlorobenzoic acid, 98+%
4,3-CABA
3-Amino-4-chloro
3-AMINO-4-CHLORO BENZOIC ACID 98%
4-CHLORO-3-AMINO BENZOIC ACID 98+% | [EINECS(EC#)]
220-635-9 | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD00007671 | [Molecular Weight]
171.58 | [MOL File]
2840-28-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
214-215 °C (lit.) | [Boiling point ]
250°C (rough estimate) | [density ]
1.3246 (rough estimate) | [vapor pressure ]
0.001Pa at 25℃ | [refractive index ]
1.5560 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Powder | [pka]
4.13±0.10(Predicted) | [color ]
Light beige to beige | [BRN ]
2085846 | [InChIKey]
DMGFVJVLVZOSOE-UHFFFAOYSA-N | [LogP]
1.6 at 25℃ | [Dissociation constant]
2.7-2.9 at 25℃ | [CAS DataBase Reference]
2840-28-0(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Amino-4-chlorobenzoic acid(2840-28-0) | [EPA Substance Registry System]
2840-28-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29224995 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Amino-4-chlorobenzoic Acid is a useful reagent for preparation of novel bis-triazolyl-aryl-benzimidazole-thiol derivatives. | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
General procedure for the synthesis of 3-amino-4-chlorobenzoic acid from methyl 3-amino-4-chlorobenzoate: to a stirred solution of methyl 3-amino-4-chlorobenzoate (0.300 g, 1.62 mmol) in tetrahydrofuran (20 mL) was added a solution of lithium hydroxide (0.340 g, 8.10 mmol) in water (5 mL). The reaction mixture was stirred at room temperature for 12 hours (the reaction progress was monitored by silica gel thin layer chromatography with ethyl acetate-hexane as the unfolding agent, 1:1, v/v). After completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting lithium salt was acidified with 1% (w/v) citric acid solution at 0 °C and extracted with ethyl acetate (2 × 20 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-amino-4-chlorobenzoic acid as a white solid (yield 0.200 g, 72.01%). | [Purification Methods]
Crystallise the acid from water. [Beilstein 14 IV 1115.] | [References]
[1] Patent: US2012/184548, 2012, A1. Location in patent: Page/Page column 43 |
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