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| CAS No.: | 77966-42-8 |
|---|---|
| Name: | N-butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}butan-1-aminium chloride |
| Molecular Structure: | |
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| Formula: | C17H27ClN2O•ClH |
| Molecular Weight: | 347.37 |
| Boiling Point: | 428.6°C at 760 mmHg |
| Flash Point: | 213°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: Dibutyl-[2-(2-Chloro-6-methylanilino)-2-oxoethyl]azanium chloride
Following is the structure of 6'-Chloro-2-(dibutylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-42-8):
Empirical Formula: C17H28Cl2N2O
Molecular Weight: 347.323 g/mol
Enthalpy of Vaporization: 68.38 kJ/mol
Boiling Point: 428.6 °C at 760 mmHg
Vapour Pressure: 1.49E-07 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(dibutylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-42-8): 213 °C
Canonical SMILES: CCCC[NH+](CCCC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C17H27ClN2O.ClH/c1-4-6-11-20(12-7-5-2)13-16(21)19-17-14(3)9-8-10-15(17)18;/h8-10H,4-7,11-13H2,1-3H3,(H,19,21);1H
InChIKey: JPDGTLUBDMGOAV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% SEV | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-rat LD50:250 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | scu-mus LD50:2295 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-(dibutylamino)-o-acetotoluidide, hydrochloride (CAS NO.77966-42-8) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(dibutylamino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-42-8. It also can be called o-Acetotoluidide, 6'-chloro-2-(dibutylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.