3'-Chloro-2,2,2-trifluoroacetophenone supplier

Name
3'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE
EINECS
CAS No. 321-31-3
Article Data11
CAS DataBase
Density 1.396 g/cm³
Solubility
Melting Point
Formula C₈H₄ClF₃O
Boiling Point 216.6 °C at 760mmHg
Molecular Weight 208.567
Flash Point 84.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3'-chloro-2,2,2-trifluoro- (6CI,7CI,8CI);1-(3-Chlorophenyl)-2,2,2-trifluoroethanone;2,2,2-Trifluoro-3'-chloroacetophenone;m-Chloro-a,a,a-trifluoroacetophenone;a,a,a-Trifluoro-m-chloroacetophenone;
PSA 17.07000
LogP 3.08500

3'-Chloro-2,2,2-trifluoroacetophenone Specification

The Ethanone,1-(3-chlorophenyl)-2,2,2-trifluoro-, with the CAS registry number 321-31-3, is also known as 2,2,2-Trifluoro-3'-chloroacetophenone. This chemical's molecular formula is C₈H₄ClF₃O and molecular weight is 208.56. What's more, its IUPAC name and systematic name are the same which is called 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone.

Physical properties about Ethanone,1-(3-chlorophenyl)-2,2,2-trifluoro-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 111.05; (6)ACD/BCF (pH 7.4): 111.05; (7)ACD/KOC (pH 5.5): 1013.4; (8)ACD/KOC (pH 7.4): 1013.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 41.63 cm³; (15)Molar Volume: 149.3 cm³; (16)Surface Tension: 30.8 dyne/cm; (17)Density: 1.396 g/cm³; (18)Flash Point: 84.8 °C; (19)Enthalpy of Vaporization: 45.29 kJ/mol; (20)Boiling Point: 216.6 °C at 760 mmHg; (21)Vapour Pressure: 0.139 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory systemmay. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(Cl)ccc1)C(F)(F)F
(2) InChI: InChI=1/C8H4ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
(3) InChIKey: KYFMLRJTDPGABF-UHFFFAOYAU

Product Name

3'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE

3'-Chloro-2,2,2-trifluoroacetophenone Specification

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