2-Amino-3-bromo-4-methylbenzoic acid supplier

Name
2-Amino-3-bromo-4-methylbenzoic acid
EINECS
CAS No. 320740-35-0
Density 1.683g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₂
Boiling Point 360.849 °C at 760 mmHg
Molecular Weight 230.06
Flash Point 172.035 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzoic acid, 2-amino-3-bromo-4-methyl-;
PSA 63.32000
LogP 2.61910

2-Amino-3-bromo-4-methylbenzoic acid Specification

The 2-Amino-3-bromo-4-methylbenzoic acid with cas registry number of 320740-35-0, has the systematic name of 2-amino-3-bromo-4-methyl-benzoic acid. And it is also named benzoic acid, 2-amino-3-bromo-4-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.961; (4)ACD/LogD (pH 7.4): 0.345; (5)ACD/BCF (pH 5.5): 9.441; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 79.777; (8)ACD/KOC (pH 7.4): 1.932; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 49.934 cm³; (15)Molar Volume: 136.703 cm³; (16)Polarizability: 19.795×10^-24cm³; (17)Surface Tension: 61.856 dyne/cm; (18)Enthalpy of Vaporization: 64.005 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(c1Br)N)C(=O)O;
(2)InChI: InChI=1/C8H8BrNO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12);
(3)InChIKey: FRMCBXHLZRNCKS-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12);
(5)Std. InChIKey: FRMCBXHLZRNCKS-UHFFFAOYSA-N

Product Name

2-Amino-3-bromo-4-methylbenzoic acid

2-Amino-3-bromo-4-methylbenzoic acid Specification

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