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

Name
2-CHLORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
EINECS
CAS No. 850156-39-7
Article Data14
CAS DataBase
Density 1.506 g/cm³
Solubility
Melting Point
Formula C₈H₃Cl₂F₃O
Boiling Point 244 °C at 760 mmHg
Molecular Weight 243.012
Flash Point 101.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 2-Chloro-3-trifluoromethylbenzoylchloride;2-Chloro-3-(trifluoromethyl)benzoylchloride;
PSA 17.07000
LogP 3.73780

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

Product Name

2-CHLORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

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

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