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Methanesulfenylchloride, 1,1-dichloro-1-fluoro-

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Name

Methanesulfenylchloride, 1,1-dichloro-1-fluoro-

EINECS 220-310-1
CAS No. 2712-93-8 Density 1.717 g/cm3
PSA 25.30000 LogP 2.93180
Solubility N/A Melting Point N/A
Formula CCl3FS Boiling Point 107.5 °C at 760 mmHg
Molecular Weight 169.434 Flash Point 18.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2712-93-8 (DICHLOROFLUOROMETHANESULFENYL CHLORIDE) Hazard Symbols N/A
Synonyms

Dichloro(chlorosulfanyl)fluoromethane;

 

Methanesulfenylchloride, 1,1-dichloro-1-fluoro- Specification

The Methanesulfenylchloride, 1,1-dichloro-1-fluoro-, with the CAS registry number of 2712-93-8, is also known as Dichloro(chlorosulfanyl)fluoromethane. Its EINECS registry number is 220-310-1. Its molecular formula is CCl3FS and molecular weight is 169.4331032. What's more, its IUPAC name is [Dichloro(fluoro)methyl] thiohypochlorite.

Physical properties about the Methanesulfenylchloride, 1,1-dichloro-1-fluoro- are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 410.8; (6)ACD/BCF (pH 7.4): 410.8; (7)ACD/KOC (pH 5.5): 2584.87; (8)ACD/KOC (pH 7.4): 2584.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 29.35 cm3; (15)Molar Volume: 98.6 cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 1.717 g/cm3; (18)Flash Point: 18.8 °C; (19)Enthalpy of Vaporization: 33.2 kJ/mol; (20)Boiling Point: 107.5 °C at 760 mmHg; (21)Vapour Pressure: 31.5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(F)SCl
(2) InChI: InChI=1/CCl3FS/c2-1(3,5)6-4
(3) InChIKey: KDRSHFSCTSFYGH-UHFFFAOYAQ

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 840mg/kg (840mg/kg)   Chemical Abstracts. Vol. 85, Pg. 117680t, 1976.

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