Empirical Formula: C20H21Cl2N
Molecular Weight: 346.2934g/mol
Systematic Name: (3Z)-3-(3-chloro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-aminium chloride
SMILES: [Cl-].Clc3ccc2/C=C\c1c(cccc1)/C(c2c3)=C/CC[NH+](C)C
InChI: InChI=1/C20H20ClN.ClH/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19;/h3-4,6-12,14H,5,13H2,1-2H3;1H/b19-8-;
InChIKey: IMNYNMDGLNYDIY-SRJUEMFDBW
Flash Point: 214.4 °C
Boiling Point: 430.9 °C at 760 mmHg
Enthalpy of Vaporization: 68.64 kJ/mol
Vapour Pressure: 1.25E-07 mmHg at 25°C
Structure of Chlorproheptatrien (CAS NO.5490-31-3):
1. | orl-mus LD50:250 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 144 (1963),481. | ||
2. | ivn-mus LD50:28,500 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 144 (1963),481. |
Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Chlorproheptatrien , its cas register number is 5490-31-3. It also can be called 5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine,3-chloro-N,N-dimethyl-,monohydrochloride .When heated to decomposition it emits very toxic fumes of Cl− and NOx.Vapor of Chlorproheptatrien (CAS NO.5490-31-3) is toxic.
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