Phenyl 2-chloroacetate supplier

Name
Phenyl 2-chloroacetate
EINECS 210-650-9
CAS No. 620-73-5
Article Data38
CAS DataBase
Density 1.232 g/cm³
Solubility
Melting Point 44.5°C
Formula C₈H₇ClO₂
Boiling Point 107.5 °C
Molecular Weight 170.595
Flash Point 233.2 °C at 760 mmHg
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, chloro-, phenyl ester (6CI,7CI,8CI,9CI);NSC 166432;Phenyl2-chloroacetate;Phenyl chloroacetate;Acetic acid, chloro-, phenyl ester;acetic acid, 2-chloro-, phenyl ester;
PSA 26.30000
LogP 1.83080

Phenyl 2-chloroacetate Specification

The Phenyl 2-chloroacetate, with the CAS registry number 620-73-5 and EINECS registry number 210-650-9, has the systematic name of phenyl chloroacetate. The molecular formula of the chemical is C₈H₇ClO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.45; (6)ACD/BCF (pH 7.4): 13.45; (7)ACD/KOC (pH 5.5): 223.59; (8)ACD/KOC (pH 7.4): 223.59; (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: 1.525; (14)Molar Refractivity: 42.44 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 47 kJ/mol; (21)Boiling Point: 233.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0564 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1ccccc1)CCl
(2)InChI: InChI=1/C8H7ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: AGUWUIVKDXDKBT-UHFFFAOYAH

Product Name

Phenyl 2-chloroacetate

Phenyl 2-chloroacetate Specification

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