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77966-38-2

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Basic Information
CAS No.: 77966-38-2
Name: 6′-CHLORO-2-(p-CHLOROBENZYL(2-(DIETHYL AMINO)ETHYL)AMINO)-o-ACETOLUIDIDE DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 77966-38-2 (6′-CHLORO-2-(p-CHLOROBENZYL(2-(DIETHYL AMINO)ETHYL)AMINO)-o-ACETOLUIDIDE DIHYDROCHLORIDE			)
Formula: C22H29Cl2N3O•2ClH
Molecular Weight: 495.36
Safety: Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl and NOx.
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Chemistry

IUPAC Name: [2-(2-Chloro-6-Methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride 
Following is the structure of 6'-Chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-o-acetototuidide dihydrochloride (CAS NO.77966-38-2):
                        
Empirical Formula: C22H31Cl4N3O
Molecular Weight: 495.313 g/mol
Enthalpy of Vaporization: 80.36 kJ/mol
Boiling Point: 528.8 °C at 760 mmHg
Vapour Pressure: 2.88E-11 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-o-acetototuidide dihydrochloride (CAS NO.77966-38-2): 273.6 °C
Canonical SMILES: CC[NH+](CC)CC[NH+](CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[Cl-]
InChI: InChI=1S/C22H29Cl2N3O.2ClH/c1-4-26(5-2)13-14-27(15-18-9-11-19(23)12-10-18)16-21(28)25-22-17(3)7-6-8-20(22)24;;/h6-12H,4-5,13-16H2,1-3H3,(H,25,28);2*1H
InChIKey: XGOCQYAXNACGKF-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% SEV

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.
2.    

ipr-rat LD50:103 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.
3.    

scu-mus LD50:240 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition, 6'-Chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-o-acetototuidide dihydrochloride (CAS NO.77966-38-2) emits very toxic fumes of Cl and NOx.

Specification

 6'-Chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-o-acetototuidide dihydrochloride , its cas register number is 77966-38-2. It also can be called o-Acetotoluidide, 6'-chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.