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2-Amino-6-bromo-5-methylbenzoic acid

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Name

2-Amino-6-bromo-5-methylbenzoic acid

EINECS N/A
CAS No. 147149-85-7 Density 1.682g/cm3
PSA 63.32000 LogP 2.61910
Solubility N/A Melting Point 290-293 °C
Formula C8H8BrNO2 Boiling Point 353.6 °C at 760 mmHg
Molecular Weight 230.061 Flash Point 167.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 147149-85-7 (2-AMINO-6-BROMO-5-METHYLBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Amino-6-bromo-5-methylbenzoic acid;

Article Data 4

2-Amino-6-bromo-5-methylbenzoic acid Specification

The 2-Amino-6-bromo-5-methylbenzoic acid with the CAS number 147149-85-7 is also called Benzoic acid,6-amino-2-bromo-3-methyl-. The systematic name is 6-amino-2-bromo-3-methylbenzoic acid. Its molecular formula is C8H8BrNO2. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 2-Amino-6-bromo-5-methylbenzoic acid are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 49.93 cm3; (15)Molar Volume: 136.7 cm3; (16)Polarizability: 19.79×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Enthalpy of Vaporization: 63.16 kJ/mol; (19)Vapour Pressure: 1.31×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(N)ccc1C)C(=O)O
(2)InChI: InChI=1/C8H8BrNO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: DESUDZIADGQZIJ-UHFFFAOYAV

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