Benzoic acid,5-bromo-2-hydroxy-3-methyl- supplier

Name
5-BROMO-2-HYDROXY-3-METHYLBENZENECARBOXYLIC ACID
EINECS
CAS No. 36194-82-8
Article Data7
CAS DataBase
Density 1.739 g/cm³
Solubility
Melting Point 231-234 °C
Formula C₈H₇BrO₃
Boiling Point 340.1 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 159.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3-Cresoticacid, 5-bromo- (5CI);5-Bromo-2-hydroxy-3-methylbenzenecarboxylic acid;5-Bromo-2-hydroxy-3-methylbenzoic acid;5-Bromo-3-methylsalicylic acid;5-Bromo-o-cresotic acid;
PSA 57.53000
LogP 2.16130

Benzoic acid,5-bromo-2-hydroxy-3-methyl- Specification

The Benzoic acid,5-bromo-2-hydroxy-3-methyl-, with the CAS registry number 36194-82-8, has the systematic name of 5-bromo-2-hydroxy-3-methylbenzoic acid, and it is also called benzoic acid, 5-bromo-2-hydroxy-3-methyl-. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₇BrO₃.

The characteristics of Benzoic acid,5-bromo-2-hydroxy-3-methyl- are as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.74; (8)ACD/KOC (pH 7.4): 1.48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 47.57 cm³; (15)Molar Volume: 132.8 cm³; (16)Polarizability: 18.86×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.739 g/cm³; (19)Flash Point: 159.5 °C; (20)Enthalpy of Vaporization: 61.6 kJ/mol; (21)Boiling Point: 340.1 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(O)c(c1)C)C(=O)O
(2)InChI: InChI=1/C8H7BrO3/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
(3)InChIKey: YMYKOYICVWKQFQ-UHFFFAOYAN

Product Name

5-BROMO-2-HYDROXY-3-METHYLBENZENECARBOXYLIC ACID

Benzoic acid,5-bromo-2-hydroxy-3-methyl- Specification

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