Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | C | |
Synonyms |
2-Chloro-3-trifluoromethylbenzoylchloride;2-Chloro-3-(trifluoromethyl)benzoylchloride; |
Article Data | 14 |
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