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| Name |
Allyl 2-chloroethylsulfide |
EINECS | N/A |
| CAS No. | 19155-35-2 | Density | 1.038g/cm3 |
| PSA | 25.30000 | LogP | 2.14440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H9ClS | Boiling Point | 180.2°Cat760mmHg |
| Molecular Weight | 136.65 | Flash Point | 68.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by inhalation. When heated to decomposition it emits toxic vapors of SOx and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(2-Chlor-aethyl)-allyl-sulfid;TL 1164;1-Allylmercapto-2-chlor-aethan;1-allylmercapto-2-chloro-ethane;Allyl 2-chloroethylsulfide;Sulfide,allyl 2-chloroethyl; |
Allyl 2-chloroethylsulfide Chemical Properties
The Molecular Structure of Allyl 2-chloroethylsulfide (CAS NO.19155-35-2):
Molecular Formula: C5H9ClS
Molecular Weight: 136.642960 g/mol
IUPAC: 3-(2-chloroethylsulfanyl)prop-1-ene
Density: 1.038 g/cm3
Flash Point: 68.1 °C
Enthalpy of Vaporization: 39.94 kJ/mol
Boiling Point: 180.2 °C at 760 mmHg
Vapour Pressure: 1.23 mmHg at 25°C
XLog: 2.4
Rotatable Bond Count: 4
Exact Mass: 136.011349
MonoIsotopic Mass: 136.011349
Topological Polar Surface Area: 0
Heavy Atom Count: 7
Complexity: 45.3
Covalently-Bonded Unit Count: 1
Nominal Mass: 136 Da
Average Mass: 136.643 Da
Monoisotopic Mass: 136.011348 Da
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.25
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 5.5): 30.46
ACD/BCF (pH 7.4): 30.46
ACD/KOC (pH 5.5): 401.5
ACD/KOC (pH 7.4): 401.5
Polar Surface Area: 25.3Å2
Index of Refraction: 1.486
Molar Refractivity: 37.78 cm3
Molar Volume: 131.5 cm3
Surface Tension: 30.5 dyne/cm
InChI: InChI=1/C5H9ClS/c1-2-4-7-5-3-6/h2H,1,3-5H2
Smiles: C(C=C)SCCCl
Allyl 2-chloroethylsulfide Toxicity Data With Reference
| 1. | ihl-mus LCLo:500 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1943. |
Allyl 2-chloroethylsulfide Safety Profile
A poison by inhalation. When heated to decomposition it emits toxic vapors of SOx and Cl−.
Allyl 2-chloroethylsulfide Specification
Allyl 2-chloroethylsulfide (CAS NO.19155-35-2) is also called as 3-01-00-01889 (Beilstein Handbook Reference) ; BRN 1742259 ; TL 1164 ; Sulfide, allyl 2-chloroethyl .
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