Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester supplier

Name
Methyl 3-(Bromomethyl)-4-chlorobenzoate
EINECS
CAS No. 220464-68-6
Article Data11
CAS DataBase
Density 1.561 g/cm³
Solubility
Melting Point
Formula C₉H₈BrClO₂
Boiling Point 314.583 °C at 760 mmHg
Molecular Weight 263.518
Flash Point 144.055 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl3-bromomethyl-4-chlorobenzoate;
PSA 26.30000
LogP 3.02150

Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester Specification

The CAS registry number of Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester is 220464-68-6. The IUPAC name is methyl 3-(bromomethyl)-4-chlorobenzoate. In addition, the molecular formula is C₉H₈BrClO₂ and the molecular weight is 263.5156. It should be stored in a cool and dry place.

Physical properties about Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester are: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 252; (5)ACD/BCF (pH 7.4): 252; (6)ACD/KOC (pH 5.5): 1821; (7)ACD/KOC (pH 7.4): 1821; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 55.569 cm³; (13)Molar Volume: 168.769 cm³; (14)Polarizability: 22.029 ×10^-24cm³; (15)Surface Tension: 44.928 dyne/cm; (16)Density: 1.561 g/cm³; (17)Flash Point: 144.055 °C; (18)Enthalpy of Vaporization: 55.576 kJ/mol; (19)Boiling Point: 314.583 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(ccc1Cl)C(=O)OC
(2)InChI: InChI=1/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
(3)InChIKey: OXXGTEJKZZKAJV-UHFFFAOYAX

Product Name

Methyl 3-(Bromomethyl)-4-chlorobenzoate

Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester Specification

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