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77966-54-2

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Basic Information
CAS No.: 77966-54-2
Name: N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-N-(propan-2-yl)propan-2-aminium chloride
Molecular Structure:
Molecular Structure of 77966-54-2 (N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-N-(propan-2-yl)propan-2-aminium chloride)
Formula: C15H23ClN2O•ClH
Molecular Weight: 319.31
Density: g/cm3
Boiling Point: 391.4°Cat760mmHg
Flash Point: 190.5°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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Chemistry

IUPAC Name: [2-(2-Chloro-6-methylanilino)-2-oxoethyl]-di(propan-2-yl)azaniumchloride 
Following is the structure of 6'-Chloro-2-(diisopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-54-2):
                     
Empirical Formula: C15H24Cl2N2O
Molecular Weight: 319.2699 g/mol
Enthalpy of Vaporization: 64.11 kJ/mol
Boiling Point: 391.4 °C at 760 mmHg
Vapour Pressure: 2.46E-06 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(diisopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-54-2): 190.5 °C
Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[NH+](C(C)C)C(C)C.[Cl-]
InChI: InChI=1S/C15H23ClN2O.ClH/c1-10(2)18(11(3)4)9-14(19)17-15-12(5)7-6-8-13(15)16;/h6-8,10-11H,9H2,1-5H3,(H,17,19);1H
InChIKey: MVFPATFTJLLNDS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% MLD

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),407.
2.    

ipr-rat LD50:100 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),407.
3.    

scu-mus LD50:515 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),407.

Safety Profile

Poison by intraperitoneal route. Moderately is toxic by subcutaneous route. An eye irritant. When heated to decomposition, 6'-Chloro-2-(diisopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-54-2) emits very toxic fumes of Cl− and NOx.

Specification

 6'-Chloro-2-(diisopropylamino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-54-2. It also can be called o-Acetotoluidide, 6'-chloro-2-(diisopropylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.