-
Name
allyl thiocyanate
- EINECS
- CAS No. 764-49-8
- Article Data24
- CAS DataBase
- Density 1.022g/cm3
- Solubility
- Melting Point
- Formula C4H5 N S
- Boiling Point 162°C at 760 mmHg
- Molecular Weight 99.1564
- Flash Point 51.8°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and subcutaneous routes. See also THIOCYANATES and ALLYL COMPOUNDS. When heated to decomposition it emits very toxic NOx, SOx, and CN−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Thiocyanicacid, 2-propenyl ester (9CI); Thiocyanic acid, allyl ester (6CI,7CI,8CI);Propene, 3-thiocyanato- (6CI); 1-Thiocyano-2-propene; 3-Thiocyanatopropene;Allyl thiocyanate
- PSA 49.09000
- LogP 1.38668
ALLYL THIOCYANATE Chemical Properties
Product Name: Allyl thiocyanate (CAS NO.764-49-8)
Molecular Formula: C4H5NS
Molecular Weight: 99.1542g/mol
Mol File: 764-49-8.mol
Einecs: 212-126-5
Boiling Point: 162 °C at 760 mmHg
Density: 1.022 g/cm3
Surface Tension: 36.9 dyne/cm
Enthalpy of Vaporization: 39.85 kJ/mol
Vapour Pressure: 2.22 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Topological Polar Surface Area: 23.8
Heavy Atom Count: 6
Complexity: 78.8
Covalently-Bonded Unit Count: 1
ALLYL THIOCYANATE Toxicity Data With Reference
| 1. | ipr-rat LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),870. | ||
| 2. | scu-rbt LDLo:12 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 150 (1930),257. |
ALLYL THIOCYANATE Safety Profile
Poison by intraperitoneal and subcutaneous routes. See also THIOCYANATES and ALLYL COMPOUNDS. When heated to decomposition it emits very toxic NOx, SOx, and CN−.
ALLYL THIOCYANATE Specification
Allyl thiocyanate ,its CAS NO. is 764-49-8,the synonyms is 3-Thiocyanato-1-propene ; Thiocyanic acid allyl ; Thiocyanic acid allyl ester .
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