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77966-56-4

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Basic Information
CAS No.: 77966-56-4
Name: 2-[(2-chloro-6-methylphenyl)(methyl)amino]-N,N-dimethyl-2-oxoethanaminium chloride
Molecular Structure:
Molecular Structure of 77966-56-4 (2-[(2-chloro-6-methylphenyl)(methyl)amino]-N,N-dimethyl-2-oxoethanaminium chloride)
Formula: C12H17ClN2O•ClH
Molecular Weight: 277.22
Boiling Point: 352.5°C at 760 mmHg
Flash Point: 167°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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Chemistry

IUPAC Name: [2-(2-Chloro-N,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride 
Following is the structure of 6'-Chloro-2-(dimethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-56-4):
                       
Empirical Formula: C12H18Cl2N2O
Molecular Weight: 277.1901 g/mol
Enthalpy of Vaporization: 59.73 kJ/mol
Boiling Point: 352.5 °C at 760 mmHg
Vapour Pressure: 3.83E-05 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(dimethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-56-4): 167 °C
Canonical SMILES: CC1=C(C(=CC=C1)Cl)N(C)C(=O)C[NH+](C)C.[Cl-]
InChI: InChI=1S/C12H17ClN2O.ClH/c1-9-6-5-7-10(13)12(9)15(4)11(16)8-14(2)3;/h5-7H,8H2,1-4H3;1H
InChIKey: CVGHYFDUPQDZOH-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:390 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
2.    

scu-mus LD50:445 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.

Safety Profile

Poison by intraperitoneal route. Moderately is toxic by subcutaneous route. When heated to decomposition, 6'-Chloro-2-(dimethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-56-4) emits very toxic fumes of Cl− and NOx.

Specification

 6'-Chloro-2-(dimethylamino)-N-methyl-o-acetotoluidide hydrochloride , its cas register number is 77966-56-4. It also can be called o-Acetotoluidide, 6'-chloro-2-(dimethylamino)-N-methyl-, hydrochloride . Its classification code is Drug / Therapeutic Agent.