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77966-47-3

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Basic Information
CAS No.: 77966-47-3
Name: (4-chloro-2-methyl-phenyl)carbamoylmethyl-diethyl-azanium chloride
Molecular Structure:
Molecular Structure of 77966-47-3 ((4-chloro-2-methyl-phenyl)carbamoylmethyl-diethyl-azanium chloride)
Formula: C13H19 Cl N2 O . Cl H
Molecular Weight: 291.221
Synonyms: Acetamide,N-(4-chloro-2-methylphenyl)-2-(diethylamino)-, monohydrochloride (9CI)
Boiling Point: 380.8°C at 760 mmHg
Flash Point: 184.1°C
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.
PSA: 32.34000
LogP: 3.80370
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  • cas 77966-47-3 Acetamide,N-(4-chloro-2-methylphenyl)-2-(diethylamino)-, hydrochloride (1:1)

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  • [2-(4-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride

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    [2-(4-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride

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  • (4-CHLORO-2-METHYL-PHENYL)CARBAMOYLMETHYL-DIETHYL-AZANIUM CHLORIDE

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    77966-47-3

    (4-CHLORO-2-METHYL-PHENYL)CARBAMOYLMETHYL-DIETHYL-AZANIUM CHLORIDE

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    (4-CHLORO-2-METHYL-PHENYL)CARBAMOYLMETHYL-DIETHYL-AZANIUM CHLORIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry


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 

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.

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.

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 .