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| CAS No.: | 2457-76-3 |
|---|---|
| Name: | 4-Amino-2-chlorobenzoic acid |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6ClNO2 |
| Molecular Weight: | 171.583 |
| Synonyms: | 4-amino-2-chloro-benzoate;4-14-00-01272 (Beilstein Handbook Reference);USAF NB-1;Benzoic acid, 4-amino-2-chloro-;o-Chloro-p-aminobenzoic acid;2-Chloro-p-aminobenzoic acid;4-Amino-3-trifluoromethyl benzoic acid; |
| EINECS: | 219-540-5 |
| Density: | 1.476 g/cm3 |
| Melting Point: | 211 °C (dec.)(lit.) |
| Boiling Point: | 365.3 °C at 760 mmHg |
| Flash Point: | 174.8 °C |
| Appearance: | beige to light brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 63.32000 |
| LogP: | 2.20160 |
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| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; under 760 Torr; | 98% |
| With isopropyl alcohol; potassium hydroxide at 20℃; for 2.5h; Catalytic behavior; | 88% |
| With iron; ammonium chloride In ethanol; water for 2h; Reflux; | 24% |
- 2457-76-3
4-amino-2-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With Wilkinson's catalyst; hydrogen; dihydrogen peroxide at 20 - 70℃; under 3800.26 - 7600.51 Torr; for 13h; Temperature; | 93.6% |
- 38667-55-9
4-Acetylamino-2-chlorobenzoic acid
- 2457-76-3
4-amino-2-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| Hydrogenation; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous nitric acid / 120 - 180 °C 2: tin (II)-chloride; aqueous hydrochloric acid View Scheme | |
| Multi-step reaction with 4 steps 1: bromine / 130 - 135 °C 2: Pb(NO3)2; water 3: KMnO4 4: aqueous ammonia; iron sulfate(II) hydrate View Scheme | |
| Multi-step reaction with 2 steps 1: aqueous nitric acid / 120 - 180 °C 2: palladium; ethyl acetate / Hydrogenation View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: carbon disulfide; aluminium chloride 2: potassium permanganate; diluted sulfuric acid; magnesium sulfate 3: hydrochloric acid View Scheme |
- 90798-26-8
acetic acid-(3-chloro-4-chloroacetyl-anilide)
- 2457-76-3
4-amino-2-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium permanganate; diluted sulfuric acid; magnesium sulfate 2: hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: KMnO4 2: aqueous ammonia; iron sulfate(II) hydrate View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: KMnO4 2: aqueous ammonia; iron sulfate(II) hydrate View Scheme |
- 42533-63-1
1-(bromomethyl)-2-chloro-4-nitrobenzene
- 2457-76-3
4-amino-2-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: Pb(NO3)2; water 2: KMnO4 3: aqueous ammonia; iron sulfate(II) hydrate View Scheme |
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Chemistry
IUPAC Name: 4-Amino-2-chlorobenzoic acid
Following is the structure of 2-Chloro-4-aminobenzoic acid (CAS NO.2457-76-3):
Molecular Formula: C7H6ClNO2
Formula Weight: 171.58
EINECS: 219-540-5
Index of Refraction: 1.648
Molar Refractivity: 42.31 cm3
Molar Volume: 116.1 cm3
Density: 1.476 g/cm3
Flash Point: 174.8 °C
Storage temp. : -20 °C
Melting point 210-215 °C
Surface Tension: 65.9 dyne/cm
Water Solubility: 4420 mg/L 25 °C
Enthalpy of Vaporization: 64.53 kJ/mol
Boiling Point: 365.3 °C at 760 mmHg
Vapour Pressure: 5.58E-06 mmHg at 25 °C
Appearance of 2-Chloro-4-aminobenzoic acid (CAS NO.2457-76-3): beige to light brown powder
Product Categories: FINE Chemical & INTERMEDIATES; Acids and Derivatives; Amines and Anilines; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid;Organic acids; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives
Canonical SMILES: C1=CC(=C(C=C1N)Cl)C(=O)O
InChI: InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: MBDUKNCPOPMRJQ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-esc 500 mg/L | JGMIAN Journal of General Microbiology 18 (1958),543. | ||
| 2. | ipr-mus LDLo:500 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
2-Chloro-4-aminobenzoic acid (CAS NO.2457-76-3) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
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
RTECS: DG1575000
HS Code: 29224995
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition, 2-Chloro-4-aminobenzoic acid (CAS NO.2457-76-3) emits very toxic fumes of Cl− and NOx. See also AROMATIC AMINES.
Specification
2-Chloro-4-aminobenzoic acid , its cas register number 2457-76-3. It also can be called 2-Chloro-p-aminobenzoic acid ; Benzoic acid, 4-amino-2-chloro- ; and o-Chloro-p-aminobenzoic acid . It should be stored in a tightly closed container, or stored in a cool, dry place.
2-Chloro-4-aminobenzoic acid (CAS NO.2457-76-3) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide. However, its hazardous polymerization has not been reported.