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| Name |
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride |
EINECS | N/A |
| CAS No. | 77966-47-3 | Density | N/A |
| PSA | 32.34000 | LogP | 3.80370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H19 Cl N2 O . Cl H | Boiling Point | 380.8°C at 760 mmHg |
| Molecular Weight | 291.221 | Flash Point | 184.1°C |
| Transport Information | N/A | Appearance | N/A |
| 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. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetamide,N-(4-chloro-2-methylphenyl)-2-(diethylamino)-, monohydrochloride (9CI) |
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride Chemical Properties
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IUPAC: [2-(4-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride
Molecular Formula: C13H20Cl2N2O
Molecular Weight: 291.216700g/mol
Mol File: 77966-47-3.mol
InChI: InChI=1/C13H19ClN2O.ClH/c1-4-16(5-2)9-13(17)15-12-7-6-11(14)8-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,15,17);1H
Canonical SMILES: CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1)Cl)C.[Cl-]
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 290.095269
MonoIsotopic Mass: 290.095269
Topological Polar Surface Area: 33.5
Heavy Atom Count: 18
Complexity: 244
Classification Code: Drug / Therapeutic Agent,Skin / Eye Irritant
Flash Point: 184.1 °C
Boiling Point: 380.8 °C
Enthalpy of Vaporization: 62.9 kJ/mol at 760 mmHg
Vapour Pressure of o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride (CAS NO.77966-47-3): 5.3E-06 mmHg at 25 °C
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Source |
|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 885mg/kg (885mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. |
| rat | LD50 | intraperitoneal | 350mg/kg (350mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. |
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride (CAS NO.77966-47-3) emits very toxic fumes of Cl− and NOx.
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride Specification
o-Acetotoluidide, 4'-chloro-2-(diethylamino)-,hydrochloride , its CAS NO. is 77966-47-3, the synonyms are 4'-Chloro-2-(diethylamino)-o-acetotoluidide,hydrochloride ; Acetanilide, 4'-chloro-2-(diethylamino)-2'-methyl-,hydrochloride .
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