Benzoic acid,2-(bromomethyl)-3-chloro-, methyl ester supplier

Name
METHYL 2-BROMOMETHYL-3-CHLORO-BENZOATE
EINECS
CAS No. 188187-03-3
Article Data11
CAS DataBase
Density 1.561 g/cm³
Solubility
Melting Point
Formula C₉H₈BrClO₂
Boiling Point 330.979 °C at 760 mmHg
Molecular Weight 263.518
Flash Point 153.971 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromomethyl-3-chlorobenzoicacid methyl ester;Methyl 2-(bromomethyl)-3-chlorobenzoate;
PSA 26.30000
LogP 3.02150

Benzoic acid,2-(bromomethyl)-3-chloro-, methyl ester Specification

The Benzoic acid, 2-(bromomethyl)-3-chloro-, methyl ester, with the CAS registry number 188187-03-3, is also known as Methyl 2-bromomethyl-3-chloro-benzoate. This chemical's molecular formula is C₉H₈BrClO₂ and molecular weight is 263.52. What's more, its IUPAC name is Methyl 2-(bromomethyl)-3-chlorobenzoate.

Physical properties about Benzoic acid, 2-(bromomethyl)-3-chloro-, methyl ester are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 295; (6)ACD/BCF (pH 7.4): 295; (7)ACD/KOC (pH 5.5): 2038; (8)ACD/KOC (pH 7.4): 2038; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 55.569 cm³; (15)Molar Volume: 168.769 cm³; (16)Polarizability: 22.029×10^-24 cm³; (17)Surface Tension: 44.928 dyne/cm; (18)Density: 1.561 g/cm³; (19)Flash Point: 153.971 °C; (20)Enthalpy of Vaporization: 57.361 kJ/mol; (21)Boiling Point: 330.979 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1c(cccc1Cl)C(=O)OC
(2) InChI: InChI=1/C9H8BrClO2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3
(3) InChIKey: BZXFVKQUKUJTIM-UHFFFAOYAM

Product Name

METHYL 2-BROMOMETHYL-3-CHLORO-BENZOATE

Benzoic acid,2-(bromomethyl)-3-chloro-, methyl ester Specification

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