4-Bromo-2,6-dimethylbenzoic acid supplier

Name
4-bromo-2,6-dimethylbenzoic acid
EINECS
CAS No. 74346-19-3
Article Data10
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point 197-198 °C
Formula C₉H₉BrO₂
Boiling Point 321.106 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 148 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-2,6-dimethylbenzoicacid;
PSA 37.30000
LogP 2.76410

4-Bromo-2,6-dimethylbenzoic acid Specification

The 4-Bromo-2,6-dimethylbenzoic acid with the CAS number 74346-19-3 is also called Benzoic acid,4-bromo-2,6-dimethyl-. Its molecular formula is C₉H₉BrO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 50.523 cm³; (15)Molar Volume: 150.698 cm³; (16)Polarizability: 20.029×10^-24cm³; (17)Surface Tension: 47.291 dyne/cm; (18)Enthalpy of Vaporization: 59.418 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(C(=O)O)c(c1)C)C
(2)InChI: InChI=1/C9H9BrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: DJZAABLAECNINV-UHFFFAOYAZ

Product Name

4-bromo-2,6-dimethylbenzoic acid

4-Bromo-2,6-dimethylbenzoic acid Specification

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