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5626-16-4

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Basic Information
CAS No.: 5626-16-4
Name: Didesmethyldoxepin
Molecular Structure:
Molecular Structure of 5626-16-4 (Didesmethyldoxepin)
Formula: C17H17NO
Molecular Weight: 251.35
Synonyms: Didemethyldoxepin;KS 1675;
Density: 1.184g/cm3
Boiling Point: 418.6°C at 760 mmHg
Flash Point: 213.8°C
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also DOXEPIN.
PSA: 35.25000
LogP: 4.05980
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    DESMETHYLDOXEPIN

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    DESMETHYLDOXEPIN

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Chemistry

IUPAC  Name: (3Z)-3-(6H-Benzo[c][1]benzoxepin-11-ylidene)propan-1-amine    
Molecular Formula: C17H17NO
Molecular Weight: 251.35
Freely Rotating Bonds: 3
Polar Surface Area: 12.47 Å2
Index of Refraction: 1.667
Molar Refractivity: 79.06 cm3
Molar Volume: 212.2 cm3
Polarizability: 31.34 ×10-24 cm3
Surface Tension: 55.2 dyne/cm
Density: 1.184 g/cm3
Flash Point: 213.8 °C
Enthalpy of Vaporization: 67.22 kJ/mol
Boiling Point: 418.6 °C at 760 mmHg
Vapour Pressure: 3.23E-07 mmHg at 25°C 
The Cas Register Number of  Desmethyldoxepin is 5626-16-4.The chemical synonyms of  Desmethyldoxepin (CAS NO.5626-16-4) are 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene- (9CI) ; 3-[Dibenz[b,e]oxepin-11(6H)-ylidene]-1-propanamine .The molecular structure of  Desmethyldoxepin (CAS NO.5626-16-4) is.

Uses

 Desmethyldoxepin (CAS NO.5626-16-4) is  used in organic synthesis.

Toxicity Data With Reference

1.    

ipr-rat LD50:100 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),863.
2.    

orl-mus LD50:118 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),863.
3.    

ipr-mus LD50:92 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),863.
4.    

ivn-mus LD50:29 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),863.
5.    

ivn-rbt LD50:13,400 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),863.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also DOXEPIN.