Molecular Structure of Allyl phenyl thiourea (CAS NO.7341-63-1):
IUPAC: 1-Phenyl-3-prop-2-en-1-ylthiourea
Molecular Formula: C10H12N2S
Molecular Weight: 192.2807
EINECS: 230-855-7
Density: 1.149 g/cm3
Boiling point: 282.1oC at 760 mmHg
Flash point: 124.4oC
Index of Refraction: 1.641
Surface Tension: 51.8 dyne/cm
Enthalpy of Vaporization: 52.1 kJ/mol
Vapour Pressure: 0.00342 mmHg at 25oC
SMILES: S=C(Nc1ccccc1)NC\C=C
InChI: InChI=1/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)
InChIKey: RJTICPGQFMYYEG-UHFFFAOYAO
1. | orl-rat LD50:750 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. | ||
2. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01120 . |
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also ALLYL COMPOUNDS.
Allyl phenyl thiourea with cas registry number of 7341-63-1 is also known as 1-Allyl-3-phenyl-2-thiourea ; Allyl phenyl thiourea ; N-Allyl-N'-phenylthiourea ; 1-Allyl-3-phenyl-2-thiourea ; Thiourea, N-phenyl-N'-2-propenyl- ; Urea, 1-allyl-3-phenyl-2-thio- . It would emit very toxic fumes when heated to decomposition , so it should be stored in dry and cool place . Allyl phenyl thiourea with cas registry number of 7341-63-1 is used as a intermediate.
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