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Benzoyl chloride,2-chloro-3-(trifluoromethyl)-

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Name

Benzoyl chloride,2-chloro-3-(trifluoromethyl)-

EINECS N/A
CAS No. 850156-39-7 Density 1.506 g/cm3
PSA 17.07000 LogP 3.73780
Solubility N/A Melting Point N/A
Formula C8H3Cl2F3O Boiling Point 244 °C at 760 mmHg
Molecular Weight 243.012 Flash Point 101.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850156-39-7 (2-CHLORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2-Chloro-3-trifluoromethylbenzoylchloride;2-Chloro-3-(trifluoromethyl)benzoylchloride;

Article Data 14

Benzoyl chloride,2-chloro-3-(trifluoromethyl)- Specification

The IUPAC name of Benzoyl chloride,2-chloro-3-(trifluoromethyl)- is 2-chloro-3-(trifluoromethyl)benzoyl chloride. With the CAS registry number 850156-39-7, it is also named as 2-Chloro-3-trifluoromethylbenzoylchloride. The product should be stored in cold place. In addition, its molecular formula is C8H3Cl2F3O and its molecular weight is 243.01.

The other characteristics of Benzoyl chloride,2-chloro-3-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.486; (8)Molar Refractivity: 46.37 cm3; (9)Molar Volume: 161.3 cm3; (10)Polarizability: 18.38×10-24cm3; (11)Surface Tension: 32.1 dyne/cm; (12)Density: 1.506 g/cm3; (13)Flash Point: 101.4 °C; (14)Enthalpy of Vaporization: 48.1 kJ/mol; (15)Boiling Point: 244 °C at 760 mmHg; (16)Vapour Pressure: 0.0311 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1cccc(C(Cl)=O)c1Cl
(2)InChI: InChI=1/C8H3Cl2F3O/c9-6-4(7(10)14)2-1-3-5(6)8(11,12)13/h1-3H
(3)InChIKey: PKEMXTIVOBWBNO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H3Cl2F3O/c9-6-4(7(10)14)2-1-3-5(6)8(11,12)13/h1-3H
(5)Std. InChIKey: PKEMXTIVOBWBNO-UHFFFAOYSA-N

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