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| Name |
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride |
EINECS | N/A |
| CAS No. | 77966-52-0 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H16ClF3N2O•ClH | Boiling Point | 385.8°C at 760 mmHg |
| Molecular Weight | 345.22 | Flash Point | 187.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by subcutaneous route. A severe eye irritant. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of Cl−, F−, and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride Chemical Properties
IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium chloride
Molecular Formula: C13H17Cl2F3N2O
Molecular Weight: 345.188090 g/mol
Canonical SMILES: CC[NH+](CC)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F.[Cl-]
InChI: InChI=1/C13H16ClF3N2O.ClH/c1-3-19(4-2)8-12(20)18-9-5-6-11(14)10(7-9)13(15,16)17;/h5-7H,3-4,8H2,1-2H3,(H,18,20);1H
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 344.067003
MonoIsotopic Mass: 344.067003
Topological Polar Surface Area: 33.5
Heavy Atom Count: 21
Complexity: 321
Classification Code: Drug / Therapeutic Agent, Skin / Eye Irritant
Flash Point: 187.2 °C
Enthalpy of Vaporization: 63.47 kJ/mol
Boiling Point: 385.8 °C at 760 mmHg
Vapour Pressure of m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride (CAS NO.77966-52-0): 3.7E-06 mmHg at 25 °C
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Source |
|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 1175mg/kg (1175mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. |
| rat | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. |
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. A severe eye irritant. See also FLUORIDES. When heated to decomposition m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride (CAS NO.77966-52-0) emits very toxic fumes of Cl−, F−, and NOx.
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride Specification
m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride (CAS NO.77966-52-0) can be called 4'-Chloro-2-(diethylamino)-3'-trifluoromethylacetanilide,hydrochloride ; Acetanilide, 4'-chloro-2-(diethylamino)-3'-trifluoromethyl-, hydrochloride .
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