Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester supplier

Name
METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE
EINECS
CAS No. 668262-52-0
Article Data11
CAS DataBase
Density 1.561 g/cm³
Solubility
Melting Point
Formula C₉H₈BrClO₂
Boiling Point 331 °C at 760 mmHg
Molecular Weight 263.518
Flash Point 154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-(bromomethyl)-5-chloro-benzoate;Methyl-2-(brommethyl)-5-chlorbenzoate;2-Bromomethyl-5-chloro-benzoic acid methyl ester;
PSA 26.30000
LogP 3.02150

Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester Specification

The Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester, with the CAS registry number 668262-52-0, is also known as 2-Bromomethyl-5-chloro-benzoic acid methyl ester. This chemical's molecular formula is C₉H₈BrClO₂ and molecular weight is 263.52. What's more, its systematic name is methyl 2-(bromomethyl)-5-chloro-benzoate.

Physical properties of Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 55.56 cm³; (11)Molar Volume: 168.7 cm³; (12)Polarizability: 22.02×10^-24cm³; (13)Surface Tension: 44.9 dyne/cm; (14)Density: 1.561 g/cm³; (15)Flash Point: 154 °C; (16)Enthalpy of Vaporization: 57.36 kJ/mol; (17)Boiling Point: 331 °C at 760 mmHg; (18)Vapour Pressure: 0.00016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(ccc1CBr)Cl
(2)InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
(3)InChIKey: PVGXSSGKABOXTL-UHFFFAOYSA-N

Product Name

METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE

Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester Specification

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