Molecule structure of Dodecylbenzyl chloride (CAS NO.28061-21-4) :
IUPAC Name: 1-chlorotridecylbenzene
Molecular Weight: 294.90244 g/mol
Molecular Formula: C19H31Cl
Density: 0.933 g/cm3
Boiling Point: 378.2 °C at 760 mmHg
Flash Point: 172.8 °C
Index of Refraction: 1.491
Molar Refractivity: 91.61 cm3
Molar Volume: 315.9 cm3
Polarizability: 36.31*10-24 cm3
Surface Tension: 33.2 dyne/cm
Enthalpy of Vaporization: 60.15 kJ/mol
Vapour Pressure: 1.39E-05 mmHg at 25 °C
XLogP3-AA: 8.5
Rotatable Bond Count: 12
Exact Mass: 294.211429
MonoIsotopic Mass: 294.211429
Heavy Atom Count: 20
Complexity: 196
Canonical SMILES: CCCCCCCCCCCCC(C1=CC=CC=C1)Cl
InChI: InChI=1S/C19H31Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChIKey: ISXDOPCKEDRLAY-UHFFFAOYSA-N
EINECS of Dodecylbenzyl chloride (CAS NO.28061-21-4) : 248-810-5
1. | skn-rbt 500 mg MLD | 34ZIAG Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,233. | ||
2. | skn-rbt LDLo:12,500 mg/kg | 34ZIAG Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,233. |
Reported in EPA TSCA Inventory.
Mildly toxic by skin contact. A skin and eye irritant. When heated to decomposition it emits toxic fumes of Cl−.
Dodecylbenzyl chloride (CAS NO.28061-21-4) is also called Conoco DBCL ; (Chloromethyl)dodecylbenzene ; Benzene, (chloromethyl)dodecyl- .
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