1H-Benzimidazole,6-chloro-2-(trifluoromethyl)- supplier

Name
5-CHLORO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE
EINECS
CAS No. 656-49-5
Article Data8
CAS DataBase
Density 1.569 g/cm³
Solubility 43.5 mg/L at 25 °C in water
Melting Point 203 °C
Formula C₈H₄ClF₃N₂
Boiling Point 301 °C at 760 mmHg
Molecular Weight 220.579
Flash Point 135.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole,5-chloro-2-(trifluoromethyl)- (9CI);Benzimidazole, 5(or6)-chloro-2-(trifluoromethyl)- (7CI);Benzimidazole,5-chloro-2-(trifluoromethyl)- (6CI,8CI);5-Chloro-2-trifluoromethylbenzimidazole;
PSA 28.68000
LogP 3.23510

1H-Benzimidazole,6-chloro-2-(trifluoromethyl)- Specification

The IUPAC name of 1H-Benzimidazole,6-chloro-2-(trifluoromethyl)- is 6-chloro-2-(trifluoromethyl)-1H-benzimidazole. With the CAS registry number 656-49-5, it is also named as 5-Chloro-2-(trifluoromethyl)benzimidazole. The product's category is Imidazol & Benzimidazole. In addition, its molecular formula is C₈H₄ClF₃N₂and its molecular weight is 220.58.

The other characteristics of 1H-Benzimidazole,6-chloro-2-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 141.88; (6)ACD/BCF (pH 7.4): 125.31; (7)ACD/KOC (pH 5.5): 1207; (8)ACD/KOC (pH 7.4): 1066.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 46.49 cm³; (15)Molar Volume: 140.5 cm³; (16)Polarizability: 18.43×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.569 g/cm³; (19)Flash Point: 135.9 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 301 °C at 760 mmHg; (22)Vapour Pressure: 0.00193 mmHg at 25 °C; (23)Water Solubility: 43.5 mg/L at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c2nc1ccc(Cl)cc1n2
(2)InChI: InChI=1/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: OQKQEDXERMELRT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
(5)Std. InChIKey: OQKQEDXERMELRT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	46mg/kg (46mg/kg)		Biochemical Pharmacology. Vol. 18, Pg. 1389, 1969.
rat	LD50	oral	6817ug/kg (6.817mg/kg)		Pesticide Science. Vol. 15, Pg. 31, 1984.

Product Name

5-CHLORO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE

1H-Benzimidazole,6-chloro-2-(trifluoromethyl)- Specification

Related Products

Hot Products