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| CAS No.: | 2712-93-8 |
|---|---|
| Name: | DICHLOROFLUOROMETHANESULFENYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | CCl3FS |
| Molecular Weight: | 169.434 |
| Synonyms: | Dichloro(chlorosulfanyl)fluoromethane; |
| EINECS: | 220-310-1 |
| Density: | 1.717 g/cm3 |
| Boiling Point: | 107.5 °C at 760 mmHg |
| Flash Point: | 18.8 °C |
| PSA: | 25.30000 |
| LogP: | 2.93180 |
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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.