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| CAS No.: | 77966-41-7 |
|---|---|
| Name: | N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-N-methylcyclohexanaminium chloride |
| Molecular Structure: | |
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| Formula: | C16H23ClN2O•ClH |
| Molecular Weight: | 331.32 |
| Density: | g/cm3 |
| Boiling Point: | 440.4°Cat760mmHg |
| Flash Point: | 220.2°C |
| 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]-cyclohexyl-methylazanium chloride
Following is the structure of 6'-Chloro-2-(N-cyclohexyl-N-methylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-41-7):
Empirical Formula: C16H24Cl2N2O
Molecular Weight: 331.2806 g/mol
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 440.4 °C at 760 mmHg
Vapour Pressure: 5.9E-08 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(N-cyclohexyl-N-methylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-41-7): 220.2 °C
Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[NH+](C)C2CCCCC2.[Cl-]
InChI: InChI=1S/C16H23ClN2O.ClH/c1-12-7-6-10-14(17)16(12)18-15(20)11-19(2)13-8-4-3-5-9-13;/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20);1H
InChIKey: HENOSASMMMOQKW-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% SEV | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-rat LD50:105 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | scu-mus LD50:337 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition, 6'-Chloro-2-(N-cyclohexyl-N-methylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-41-7) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(N-cyclohexyl-N-methylamino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-41-7. It also can be called o-Acetotoluidide, 6'-chloro-2-(N-cyclohexyl-N-methylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.