-
Name
BIS(2-HYDROXYETHYL)-2-(2-CHLOROETHYLTHIO)ETHYLSULPHONIUMCHLORIDE
- EINECS
- CAS No. 64036-91-5
- Density
- Solubility
- Melting Point
- Formula C8H18 Cl O2 S2 . Cl
- Boiling Point
- Molecular Weight 281.268
- Flash Point
- Transport Information
- Appearance
- Safety A poison by skin contact, subcutaneous, and intravenous routes. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Sulfonium,[2-[(2-chloroethyl)thio]ethyl]bis(2-hydroxyethyl)-, chloride (9CI)
- PSA 91.06000
- LogP -2.43470
Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride Chemical Properties
Product Name: Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride (CAS NO.64036-91-5)
Molecular Formula: C8H18Cl2O2S2
Molecular Weight: 281.2633g/mol
Mol File: 64036-91-5.mol
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 2-(2-chloroethylsulfanyl)ethyl-bis(2-hydroxyethyl)sulfanium chloride
Canonical SMILES: C(C[S+](CCO)CCSCCCl)O.[Cl-]
InChI: InChI=1S/C8H18ClO2S2.ClH/c9-1-4-12-5-8-13(6-2-10)7-3-11;/h10-11H,
1-8H2;1H/q+1;/p-1
InChIKey: BSXOGTMDLZVLOP-UHFFFAOYSA-M
Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 6mg/kg (6mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
| dog | LD50 | skin | > 30mg/kg (30mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
| mouse | LD50 | intraperitoneal | 1200ug/kg (1.2mg/kg) | Journal of Organic Chemistry. Vol. 11, Pg. 704, 1946. | |
| mouse | LD50 | skin | 15mg/kg (15mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" ENDOCRINE: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. |
| mouse | LDLo | subcutaneous | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| rabbit | LD50 | intravenous | 4500ug/kg (4.5mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
| rabbit | LD50 | skin | > 30mg/kg (30mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. | |
| rat | LD50 | skin | 10mg/kg (10mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948. |
Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride Safety Profile
A poison by skin contact, subcutaneous, and intravenous routes. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx.
Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride Specification
Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, chloride ,its CAS NO. is 64036-91-5,the synonyms is 2-(2-Chloroethyl)thioethylbis(2-hydroxyethyl)-, chloride ; H-1TG ; beta-Chloroethyl beta-(bis(beta-hydroxyethyl)sulfonium)ethyl sulfide chloride ; Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, chloride .
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