3-AMINO-2-CHLOROBENZOIC ACID

The Benzoic acid,3-amino-2-chloro- is an organic compound with the formula C₇H₆ClNO₂. The IUPAC name of this chemical is 3-amino-2-chlorobenzoic acid. With the CAS registry number 108679-71-6, it is also named as 3-Amino-2-chlorobenzoicacid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzoic acid,3-amino-2-chloro- are: (1)ACD/LogP: 1.29; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.32 Å²; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 42.314 cm³; (12)Molar Volume: 116.194 cm³; (13)Polarizability: 16.775×10^-24cm³; (14)Surface Tension: 65.936 dyne/cm; (15)Density: 1.477 g/cm³; (16)Flash Point: 163.377 °C; (17)Enthalpy of Vaporization: 62.34 kJ/mol; (18)Boiling Point: 346.532 °C at 760 mmHg.

Uses of Benzoic acid,3-amino-2-chloro-: it can be used to produce 5,6,7,8-tetrahydro-carbazole-4-carboxylic acid at temperature of 140 °C. It will need reagent acetic acid, MgSO₄, K₃PO₄, catalyst Pd(tBu₃P)₂ and solvent N,N-dimethyl-acetamide with reaction time of 14 hours. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)N)Cl)C(=O)O
(2)InChI: InChI=1/C7H6ClNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
(3)InChIKey: IQMIVFNEHPKEAI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6ClNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey: IQMIVFNEHPKEAI-UHFFFAOYSA-N