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Name |
2-Amino-3-chlorobenzoic acid |
EINECS | 228-996-4 |
CAS No. | 6388-47-2 | Density | 1.476 g/cm3 |
PSA | 63.32000 | LogP | 2.20160 |
Solubility | Soluble in water. | Melting Point |
189-195 °C |
Formula | C7H6ClNO2 | Boiling Point | 316.3 °C at 760 mmHg |
Molecular Weight | 171.583 | Flash Point | 145.1 °C |
Transport Information | N/A | Appearance | White to yellow, tan or grey crystalline powder |
Safety | 26-37/39-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoic acid, 2-amino-3-chloro-;3-Chloro-2-aminobenzoic acid;3-Chloroanthranilic acid;Anthranilic acid, 3-chloro-;TL8007342;AC1Q3OUF; |
Article Data | 25 |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; nickel dichloride In methanol; water for 1h; Ambient temperature; | 85% |
With hydrogenchloride; tin | 72% |
With ammonium hydroxide; sodium dithionite In water at 20℃; for 1h; | 70% |
Conditions | Yield |
---|---|
With ammonia; copper(l) chloride In methanol at 130℃; under 22801.5 Torr; for 20h; Pressure; Solvent; Autoclave; | 81% |
With hydrogenchloride; sodium hydroxide; aqueous NH3; ammonia; copper(l) chloride In water | |
With sodium hydroxide; ammonia; copper(l) chloride In water |
ammonium hydroxide
3-chloro-2-nitro-benzoic acid
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
With sodium chloride In water | |
With sodium chloride In water | |
With sodium chloride In water |
O-methylcaprolactim
3-chloro-2-nitro-benzoic acid
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
Ra-Ni In tetrahydrofuran |
Conditions | Yield |
---|---|
With glucose dehydrogenase; D-glucose; 7-tryptophan FDH from the native organism Lechevalieria aerocolonigenes, 1K variant; NAD; flavin adenine dinucleotide; sodium chloride; flavin reductase In aq. buffer at 25℃; pH=7.4; Reagent/catalyst; Enzymatic reaction; | 38.2% |
With D-glucose; Escherichia coli flavin reductase; Bacillus megaterium glucose dehydrogenase; Lechevalieria aerocolonigenes tryptophan-7-halogenase; flavin adenine dinucleotide; NADH; sodium chloride In aq. phosphate buffer; isopropyl alcohol pH=7.4; Enzymatic reaction; |
Conditions | Yield |
---|---|
With sodium hydroxide; dihydrogen peroxide |
ethyl 7-chloroindole-3-(3-acetamido-3-carboethoxy)butanoate
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: ozone / methanol / 1.5 h / 785.91 Torr / Cooling with acetone-dry ice 2: hydrogenchloride / water / 4 h / Reflux 3: Pseudomonas fluorescens kynureninase / aq. phosphate buffer / 37 °C / pH 8 / Enzymatic reaction View Scheme |
ethyl 2-acetamido-2-carboethoxy-5-oxo-5-(3-chloro-2-aminophenyl)pentanoate
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 4 h / Reflux 2: Pseudomonas fluorescens kynureninase / aq. phosphate buffer / 37 °C / pH 8 / Enzymatic reaction View Scheme |
4,10-dichloro-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide |
8-chloro-3-(2-chloro-phenyl)-1H-quinazoline-2,4-dione
2-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide |
The 2-Amino-3-chlorobenzoic acid with CAS registry number of 6388-47-2 is also known as 3-Chloroanthranilic acid. The IUPAC name and product name are the same. It belongs to product categories of Fine chemical & Intermediates; Benzene Derivative; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenylacetic Acid; Organic Acids. Its EINECS registry number is 228-996-4. In addition, the formula is C7H6ClNO2 and the molecular weight is 171.58. This chemical is a white to yellow, tan or grey crystalline powder and should be sealed in cool, dry place without light.
Physical properties about 2-Amino-3-chlorobenzoic acid are: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 1.26; (3)ACD/LogD (pH 7.4): -0.29; (4)ACD/BCF (pH 5.5): 2.58; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.69; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 42.31 cm3; (13)Molar Volume: 116.1 cm3; (14)Surface Tension: 65.9 dyne/cm; (15)Density: 1.476 g/cm3; (16)Flash Point: 145.1 °C; (17)Enthalpy of Vaporization: 58.88 kJ/mol; (18)Boiling Point: 316.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000174 mmHg at 25 °C.
Preparation of 2-Amino-3-chlorobenzoic acid: it is prepared by reaction of 3-chloro-2-nitro-benzoic acid. The reaction needs reagents NiCL2*6H2O, NaBH4 and solvents methanol, H2O at ambient temperature for 1 hour. The yield is about 85%.
Uses of 2-Amino-3-chlorobenzoic acid: it is used to produce 4-chloro-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one by reaction with thiooxalsaeure-nitril-(2-chlor-anilid). The reaction occurs with reagent Et3N and solvent ethanol with other condition of heating for 3 hours. The yield is about 77%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C(=C1)Cl)N)C(=O)O
2. InChI: InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
3. InChIKey: LWUAMROXVQLJKA-UHFFFAOYSA-N