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CAS No.: | 765-15-1 |
---|---|
Name: | N-DODECYL THIOCYANATE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C13H25 N S |
Molecular Weight: | 227.414 |
Synonyms: | 1-Dodecylthiocyanate; Dodecane, 1-thiocyanato-; Dodecyl thiocyanate; Lauryl rhodanate;Lauryl thiocyanate; NSC 1481; n-Dodecyl thiocyanate |
Density: | 0,896 g/cm3 |
Boiling Point: | 180°C 18mm |
Flash Point: | 180°C/18mm |
Risk Codes: | R22; R32; R36/38 |
Safety: | Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES. |
PSA: | 49.09000 |
LogP: | 5.12158 |
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Molecule structure of n-Dodecyl thiocyanate (CAS NO.765-15-1):
IUPAC Name: Dodecyl thiocyanate
Molecular Weight: 227.4093 g/mol
Molecular Formula: C13H25NS
Density: 0.907 g/cm3
Boiling Point: 304 °C at 760 mmHg
Flash Point: 137.6 °C
Index of Refraction: 1.472
Molar Refractivity: 70.18 cm3
Molar Volume: 250.4 cm3
Polarizability: 27.82×10-24 cm3
Surface Tension: 34.7 dyne/cm
Enthalpy of Vaporization: 54.43 kJ/mol
Vapour Pressure: 0.0009 mmHg at 25 °C
XLogP3-AA: 6.5
H-Bond Acceptor: 1
Rotatable Bond Count: 11
Exact Mass: 227.17077
MonoIsotopic Mass: 227.17077
Topological Polar Surface Area: 23.8
Heavy Atom Count: 15
Complexity: 159
Canonical SMILES: CCCCCCCCCCCCSC#N
InChI: InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3
InChIKey: RYZZMYXTNUJGMU-UHFFFAOYSA-N
EINECS of n-Dodecyl thiocyanate (CAS NO.765-15-1): 212-142-2
1. | skn-rat 350 mg/7D-I open MOD | JPTLAS Journal of Pathology. 49 (1939),363. | ||
2. | orl-rat LD50:1250 mg/kg | 28ZEAL Pesticide Index. 4 (1969),205. | ||
3. | scu-mus LDLo:20 g/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 18 (1936),310. | ||
4. | orl-cat LDLo:2000 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 18 (1936),310. |
Risk Statements: 22-32-36/38
R22:Harmful if swallowed.
R32:Contact with acid liberates very toxic gas.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RTECS: XK9625000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES.
n-Dodecyl thiocyanate (CAS NO.765-15-1) is also named as 1-Dodecyl thiocyanate ; 4-03-00-00332 (Beilstein Handbook Reference) ; AI3-00114 ; BRN 1770396 ; Caswell No. 523 ; Dodecane, 1-thiocyanato- ; ENT 114 ; EPA Pesticide ; Chemical Code 068101 ; LORO ; Lauryl rhodanate ; Lauryl thiocyanate ; Laurylrhodanide ; Laurylthiokyanat ; Laurylthiokyanat [Czech] ; Lorol thiocyanate ; NSC 1481 .