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Name |
N-(2,4,5-Trichlorophenyl)acetamide |
EINECS | 245-793-6 |
CAS No. | 23627-24-9 | Density | 1.506 g/cm3 |
PSA | 29.10000 | LogP | 3.67820 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetanilide,2',4',5'-trichloro- (7CI,8CI);Acetamide,N-(2,4,5-trichlorophenyl)-;NSC 80150; |
Article Data | 13 |
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%.
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. |