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77966-45-1

Basic Information
CAS No.: 77966-45-1
Name: 6′-CHLORO-2-(2-(DIETHYLAMINO)ETHYL) METHYLAMINO-m-ACETOTOLUIDIDE DIHYDRO CHLORIDE
Molecular Structure:
Molecular Structure of 77966-45-1 (6′-CHLORO-2-(2-(DIETHYLAMINO)ETHYL) METHYLAMINO-m-ACETOTOLUIDIDE DIHYDRO CHLORIDE			)
Formula: C16H26ClN3O•2ClH
Molecular Weight: 384.82
Density: g/cm3
Boiling Point: 429.8°Cat760mmHg
Flash Point: 213.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl and NOx.
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  • 2-[[2-(2-chloro-5-methylanilino)-2-oxoethyl]-methylazaniumyl]ethyl-diethylazanium dichloride

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    77966-45-1

    2-[[2-(2-chloro-5-methylanilino)-2-oxoethyl]-methylazaniumyl]ethyl-diethylazanium dichloride

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white crystalline powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use

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Chemistry

IUPAC Name: [2-(2-Chloro-5-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride 
Following is the structure of 6'-Chloro-2-(2-(diethylamino)ethyl)methylamino-m-acetotoluidide dihydrochloride (CAS NO.77966-45-1):
                               
Empirical Formula: C16H28Cl3N3O
Molecular Weight: 384.772 g/mol
Enthalpy of Vaporization: 68.51 kJ/mol
Boiling Point: 429.8 °C at 760 mmHg
Vapour Pressure: 1.37E-07 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(2-(diethylamino)ethyl)methylamino-m-acetotoluidide dihydrochloride (CAS NO.77966-45-1): 213.7 °C
Canonical SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C=CC(=C1)C)Cl.[Cl-].[Cl-]
InChI: InChI=1S/C16H26ClN3O.2ClH/c1-5-20(6-2)10-9-19(4)12-16(21)18-15-11-13(3)7-8-14(15)17;;/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,21);2*1H
InChIKey: DCRKLMVYPFEZNX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% MLD

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),262.
2.    

ipr-rat LD50:104 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),262.
3.    

scu-mus LD50:750 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),262.

Safety Profile

Poison by intraperitoneal route. Moderately is toxic by subcutaneous route. An eye irritant. When heated to decomposition, 6'-Chloro-2-(2-(diethylamino)ethyl)methylamino-m-acetotoluidide dihydrochloride (CAS NO.77966-45-1) emits very toxic fumes of Cl and NOx.

Specification

 6'-Chloro-2-(2-(diethylamino)ethyl)methylamino-m-acetotoluidide dihydrochloride , its cas register number is 77966-45-1. It also can be called m-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.