-
Name
2-(Trifluoromethoxy)benzylsulphonyl chloride
- EINECS
- CAS No. 116827-38-4
- Article Data3
- CAS DataBase
- Density 1.538 g/cm3
- Solubility
- Melting Point
- Formula C8H6ClF3O3S
- Boiling Point 279.7 °C at 760 mmHg
- Molecular Weight 274.648
- Flash Point 122.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(Trifluoromethoxy)benzylsulphonyl chloride;BenzeneMethanesulfonylchloride, 2-(trifluoroMethoxy)-;2-(Trifluoromethoxy)-benzenemethanesulfonyl chloride;[2-(Trifluoromethoxy)phenyl]methanesulphonyl chloride
- PSA 51.75000
- LogP 3.73460
Benzenemethanesulfonylchloride, 2-(trifluoromethoxy)- Specification
The Benzenemethanesulfonylchloride, 2-(trifluoromethoxy)-, with the CAS registry number 116827-38-4, is also known as 2-(Trifluoromethoxy)benzylsulphonyl chloride. This chemical's molecular formula is C8H6ClF3O3S and molecular weight is 274.64. What's more, its systematic name is [2-(trifluoromethoxy)phenyl]methanesulfonyl chloride.
Physical properties of Benzenemethanesulfonylchloride, 2-(trifluoromethoxy)- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.03; (6)ACD/BCF (pH 7.4): 105.03; (7)ACD/KOC (pH 5.5): 973.81; (8)ACD/KOC (pH 7.4): 973.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 51.76 cm3; (15)Molar Volume: 178.5 cm3; (16)Polarizability: 20.52×10-24 cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 122.9 °C; (20)Enthalpy of Vaporization: 49.75 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00672 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1CS(Cl)(=O)=O
(2)InChI: InChI=1/C8H6ClF3O3S/c9-16(13,14)5-6-3-1-2-4-7(6)15-8(10,11)12/h1-4H,5H2
(3)InChIKey: BICRWGINZIMNCC-UHFFFAOYAY
Related Products
- Benzenemethanesulfonylchloride, 2-(trifluoromethoxy)-
- Benzenemethanesulfonylchloride, 2-chloro-
- Benzenemethanesulfonylchloride, 2-methyl-
- Benzenemethanesulfonylchloride, 3-chloro-
- Benzenemethanesulfonylchloride, 3-cyano-
- Benzenemethanesulfonylchloride, 4-chloro-
- Benzenemethanesulfonylchloride, 4-methoxy-
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