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| CAS No.: | 77966-61-1 |
|---|---|
| Name: | N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}propan-2-aminium chloride |
| Molecular Structure: | |
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| Formula: | C12H17ClN2O•ClH |
| Molecular Weight: | 277.22 |
| Boiling Point: | 370°C at 760 mmHg |
| Flash Point: | 177.6°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and Cl−. |
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Chemistry
IUPAC Name: [2-(2-Chloro-6-Methylanilino)-2-oxoethyl]-propan-2-ylazanium chloride
Following is the structure of 6'-Chloro-2-(isopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-61-1):
Empirical Formula: C12H18Cl2N2O
Molecular Weight: 277.1901 g/mol
Enthalpy of Vaporization: 61.68 kJ/mol
Boiling Point: 370 °C at 760 mmHg
Vapour Pressure: 1.14E-05 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(isopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-61-1): 177.6 °C
Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[NH2+]C(C)C.[Cl-]
InChI: InChI=1S/C12H17ClN2O.ClH/c1-8(2)14-7-11(16)15-12-9(3)5-4-6-10(12)13;/h4-6,8,14H,7H2,1-3H3,(H,15,16);1H
InChIKey: KNOFTQBAKOZNQI-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:330 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-mus LD50:275 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | scu-mus LD50:730 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition, 6'-Chloro-2-(isopropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-61-1) emits very toxic fumes of NOx and Cl−.
Specification
6'-Chloro-2-(isopropylamino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-61-1. It also can be called 2'-Chloro-2-(isopropylamino)-6'-methylacetanilide, hydrochloride ; and o-Acetotoluidide, 6'-chloro-2-(isopropylamino)-, hydrochloride . Its classification code is Drug / Therapeutic Agent.