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Acetamide,2-chloro-N-(3,5-dichlorophenyl)-

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Name

Acetamide,2-chloro-N-(3,5-dichlorophenyl)-

EINECS N/A
CAS No. 33560-48-4 Density 1.511 g/cm3
PSA 29.10000 LogP 3.24370
Solubility N/A Melting Point 140-142 ºC
Formula C8H6Cl3NO Boiling Point 387 °C at 760 mmHg
Molecular Weight 238.501 Flash Point 187.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 33560-48-4 (N1-(3,5-DICHLOROPHENYL)-2-CHLOROACETAMIDE) Hazard Symbols IrritantXi
Synonyms

Acetanilide,2,3',5'-trichloro- (8CI);2-Chloro-N-(3,5-dichlorophenyl)acetamide;Chloroacetic acid 3,5-dichloroanilide;2,3',5'-Trichloroacetanilide;N-(3,5-Dichlorophenyl)-2-chloroacetamide;

Article Data 15

Acetamide,2-chloro-N-(3,5-dichlorophenyl)- Specification

The Acetamide,2-chloro-N-(3,5-dichlorophenyl)-, with the CAS registry number 33560-48-4, is also known as Chloroacetic acid 3,5-dichloroanilide. This chemical's molecular formula is C8H6Cl3NO and molecular weight is 238.5. What's more, its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)acetamide. 

Physical properties of Acetamide,2-chloro-N-(3,5-dichlorophenyl)- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/BCF (pH 5.5): 130.78; (5)ACD/BCF (pH 7.4): 130.77; (6)ACD/KOC (pH 5.5): 1139.29; (7)ACD/KOC (pH 7.4): 1139.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 55.16 cm3; (14)Molar Volume: 157.8 cm3; (15)Surface Tension: 50.7 dyne/cm; (16)Density: 1.511 g/cm3; (17)Flash Point: 187.8 °C; (18)Enthalpy of Vaporization: 63.6 kJ/mol; (19)Boiling Point: 387 °C at 760 mmHg; (20)Vapour Pressure: 3.41E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride, 3,5-dichloro-aniline. This reaction will need reagent 2M aq. NaOH and solvent benzene with the reaction time of 1 hour. The yield is about 86%.

Uses of Acetamide,2-chloro-N-(3,5-dichlorophenyl)-: it can be used to produce N-(3,5-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-acetamide by heating. It will need reagent sodium carbonate and solvent acetonitrile with the reaction time of 5 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)NC(=O)CCl
(2)InChI: InChI=1S/C8H6Cl3NO/c9-4-8(13)12-7-2-5(10)1-6(11)3-7/h1-3H,4H2,(H,12,13)
(3)InChIKey: ZRTPLHDJASYNPE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01638.

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