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| CAS No.: | 31335-41-8 |
|---|---|
| Name: | Dichloromethyl(trichloromethylthio) sulfone |
| Molecular Structure: | |
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| Formula: | C2H Cl5 O2 S2 |
| Molecular Weight: | 298.426 |
| Synonyms: | Methanesulfonicacid, dichlorothio-, S-(trichloromethyl) ester (8CI); Methanesulfonothioicacid, dichloro-, S-(trichloromethyl) ester (9CI) |
| Density: | 1.939g/cm3 |
| Boiling Point: | 290.6°Cat760mmHg |
| Flash Point: | 129.5°C |
| Safety: | Moderately toxic by ingestion. A skin and eye irritant. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx. |
| PSA: | 67.82000 |
| LogP: | 4.21910 |
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Chemistry
Product Name: Sulfone, dichloromethyl trichloromethylthio (CAS NO.31335-41-8)
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Molecular Formula: C2HCl5O2S2
Molecular Weight: 298.40g/mol
Mol File: 31335-41-8.mol
Boiling point: 290.6 °C at 760 mmHg
Flash Point: 129.5 °C
Density: 1.939 g/cm3
Surface Tension: 61 dyne/cm
Enthalpy of Vaporization: 50.87 kJ/mol
Vapour Pressure: 0.00357 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Sulfone, dichloromethyl trichloromethylthio (CAS NO.31335-41-8):
IUPAC Name: Trichloro(dichloromethylsulfonylsulfanyl)methane
Canonical SMILES: C(S(=O)(=O)SC(Cl)(Cl)Cl)(Cl)Cl
InChI: InChI=1S/C2HCl5O2S2/c3-1(4)11(8,9)10-2(5,6)7/h1H
InChIKey: RTGLSHVKDMQCCC-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,198. | ||
| 2. | eye-rbt 20 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,198. | ||
| 3. | orl-rat LD50:3620 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,198. |
Safety Profile
Moderately toxic by ingestion. A skin and eye irritant. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx.
Specification
Sulfone, dichloromethyl trichloromethylthio , its CAS NO. is 31335-41-8, the synonyms are BRN 1870184 ; Methanethiosulfonic acid, dichloro-, S-trichloromethyl ester ; Trichlormethylester kyseliny dichlormethanthiosulfonove .