Methyl 2-(bromomethyl)-6-chloro-benzoate supplier

Name
METHYL 2-BROMOMETHYL-6-CHLORO-BENZOATE
EINECS
CAS No. 482578-63-2
Article Data8
CAS DataBase
Density 1.561 g/cm³
Solubility
Melting Point
Formula C₉H₈BrClO₂
Boiling Point 325.289 °C at 760 mmHg
Molecular Weight 263.518
Flash Point 150.53 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromomethyl-6-chlorobenzoicacid methyl ester;2-Chloro-6-bromomethylbenzoic acid methyl ester;Methyl 2-bromomethyl-6-chlorobenzoate;METHYL 2-BROMOMETHYL-6-CHLORO-BENZOATE;
PSA 26.30000
LogP 3.02150

Methyl 2-(bromomethyl)-6-chloro-benzoate Specification

This chemical is called Methyl 2-(bromomethyl)-6-chloro-benzoate. With the molecular formula of C₉H₈BrClO₂, its molecular weight is 263.52. The CAS registry number of this chemical is 482578-63-2.

Other characteristics of the Methyl 2-(bromomethyl)-6-chloro-benzoate can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.813; (4)ACD/LogD (pH 7.4): 2.813; (5)ACD/BCF (pH 5.5): 80.895; (6)ACD/BCF (pH 7.4): 80.895; (7)ACD/KOC (pH 5.5): 807.795; (8)ACD/KOC (pH 7.4): 807.795; (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^-24cm³; (17)Surface Tension: 44.928 dyne/cm; (18)Density: 1.561 g/cm³; (19)Flash Point: 150.53 °C; (20)Enthalpy of Vaporization: 56.739 kJ/mol; (21)Boiling Point: 325.289 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c1c(cccc1Cl)CBr
2.InChI: InChI=1/C9H8BrClO2/c1-13-9(12)8-6(5-10)3-2-4-7(8)11/h2-4H,5H2,1H3
3.InChIKey: NJTSSAZFZFNFPO-UHFFFAOYAJ

Product Name

METHYL 2-BROMOMETHYL-6-CHLORO-BENZOATE

Methyl 2-(bromomethyl)-6-chloro-benzoate Specification

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