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14008-79-8

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Basic Information
CAS No.: 14008-79-8
Name: 3-ALPHA-[(4-CHLOROPHENYL)PHENYLMETHOXY] TROPANE HYDROCHLORIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 14008-79-8 (3-ALPHA-[(4-CHLOROPHENYL)PHENYLMETHOXY] TROPANE HYDROCHLORIDE)
Formula: C21H24 Cl N O . Cl H
Molecular Weight: 378.342
Synonyms: 1aH,5aH-Tropane, 3a-[(p-chloro-a-phenylbenzyl)oxy]-, hydrochloride (8CI);8-Azabicyclo[3.2.1]octane, 3-[(4-chlorophenyl)phenylmethoxy]-8-methyl-,hydrochloride, (3-endo)- (9CI); 8-Azabicyclo[3.2.1]octane,3-[(4-chlorophenyl)phenylmethoxy]-8-methyl-, hydrochloride, endo-;Chlortropbenzyl; FC 1; SL 6057; Tropine 4-chlorobenzhydryl ether hydrochloride;WY 2149
Density: g/cm3
Boiling Point: 437.2°Cat760mmHg
Flash Point: 218.2°C
Hazard Symbols:
Risk Codes: 22
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 12.47000
LogP: 5.81110
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Chemistry

Empirical Formula: C21H25Cl2NO
Molecular Weight: 378.3353g/mol
IUPAC Name: 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
SMILES: Cl.Clc1ccc(cc1)C(OC3CC2N(C)C(CC2)C3)c4ccccc4
InChI: InChI=1/C21H24ClNO.ClH/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16;/h2-10,18-21H,11-14H2,1H3;1H
InChIKey: FXKCQWIUITUJFU-UHFFFAOYAM
Flash Point: 218.2 °C
Boiling Point: 437.2 °C at 760 mmHg
Enthalpy of Vaporization: 69.38 kJ/mol
Vapour Pressure: 7.62E-08 mmHg at 25°C 
Structure of Chlortropbenzyl (CAS NO.14008-79-8):

Toxicity Data With Reference

1.    

orl-rat LD50:364 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 114 (1955),192.
2.    

ipr-rat LD50:58 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 114 (1955),192.
3.    

orl-mus LD50:174 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 114 (1955),192.
4.    

ipr-mus LD50:32 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 114 (1955),192.
5.    

ivn-dog LDLo:28 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 114 (1955),192.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Hazard Codes: HarmfulXn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS YM3055500

Specification

  Chlortropbenzyl , its cas register number is 14008-79-8. It also can be called 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride . When heated to decomposition it emits toxic fumes of NOx and HCl. It's harmful if swallowed. In case of contact Chlortropbenzyl (CAS NO.14008-79-8) with eyes, rinse immediately with plenty of water and seek medical advice.