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| CAS No.: | 77966-58-6 |
|---|---|
| Name: | N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-N-propylpropan-1-aminium chloride |
| Molecular Structure: | |
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| Formula: | C15H23ClN2O•ClH |
| Molecular Weight: | 319.31 |
| Density: | g/cm3 |
| Boiling Point: | 402°Cat760mmHg |
| Flash Point: | 196.9°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by subcutaneous route. 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]-dipropylazanium chloride
Following is the structure of 6'-Chloro-2-(dipropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-58-6):
Empirical Formula: C15H24Cl2N2O
Molecular Weight: 319.2699 g/mol
Enthalpy of Vaporization: 65.3 kJ/mol
Boiling Point: 402 °C at 760 mmHg
Vapour Pressure: 1.14E-06 mmHg at 25°C
Flash Point of 6'-Chloro-2-(dipropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-58-6): 196.9 °C
Canonical SMILES: CCC[NH+](CCC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C15H23ClN2O.ClH/c1-4-9-18(10-5-2)11-14(19)17-15-12(3)7-6-8-13(15)16;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19);1H
InChIKey: MJINYSVCRGRXSL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% SEV | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-rat LD50:260 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | ipr-mus LD50:245 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 4. | scu-mus LD50:1780 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. |
Safety Profile
Poison by intraperitoneal route. Moderately is toxic by subcutaneous route. A severe eye irritant. When heated to decomposition, 6'-Chloro-2-(dipropylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-58-6) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(dipropylamino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-58-6. It also can be called o-Acetotoluidide, 6'-chloro-2-(dipropylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.