N-(2,4,5-Trichlorophenyl)acetamide supplier

Name
2,4,5-TRICHLOROACETANILIDE
EINECS 245-793-6
CAS No. 23627-24-9
Article Data13
CAS DataBase
Density 1.506 g/cm³
Solubility
Melting Point 186-188 °C
Formula C₈H₆Cl₃NO
Boiling Point 373.969 °C at 760 mmHg
Molecular Weight 238.501
Flash Point 179.97 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetanilide,2',4',5'-trichloro- (7CI,8CI);Acetamide,N-(2,4,5-trichlorophenyl)-;NSC 80150;
PSA 29.10000
LogP 3.67820

N-(2,4,5-Trichlorophenyl)acetamide Specification

N-(2,4,5-Trichlorophenyl)acetamide is an organic compound with the formula C₈H₆Cl₃NO, and its systematic name is the same with the product name. With the CAS registry number 23627-24-9, it is also named as Acetamide,N-(2,4,5-trichlorophenyl)-. Its EINECS number is 245-793-6. In addition, the molecular weight is 238.50. Its classification code is Drug / Therapeutic Agent.

Physical properties of N-(2,4,5-Trichlorophenyl)acetamide are: (1)ACD/LogP: 2.933; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.86; (6)ACD/BCF (pH 7.4): 99.86; (7)ACD/KOC (pH 5.5): 939.20; (8)ACD/KOC (pH 7.4): 939.20; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 55.21 cm³; (15)Molar Volume: 158.368 cm³; (16)Polarizability: 21.887×10^-24cm³; (17)Surface Tension: 48.8209991455078 dyne/cm; (18)Density: 1.506 g/cm³; (19)Flash Point: 179.97 °C; (20)Enthalpy of Vaporization: 62.13 kJ/mol; (21)Boiling Point: 373.969 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and 2,4,5-trichloro-aniline at the temperature of 100 °C. This reaction time is 1 hour. The yield is about 87%.

N-(2,4,5-Trichlorophenyl)acetamide can be prepared by acetic acid anhydride and 2,4,5-trichloro-aniline at the temperature of 100 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(NC(=O)C)c(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C8H6Cl3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)
(3)Std. InChIKey: VUSLTUGEJURGLB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 2gm/kg (2000mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 88, Pg. 1620, 1968.
mouse	LD50	oral	> 2gm/kg (2000mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Yakugaku Zasshi. Journal of Pharmacy. Vol. 88, Pg. 1620, 1968.

Product Name

2,4,5-TRICHLOROACETANILIDE

N-(2,4,5-Trichlorophenyl)acetamide Specification

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