Name: 4-CHLORO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE
SKU: 175135-13-4

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Basic Information

Molecular Structure:
CAS No.:	175135-13-4
Name:	4-CHLORO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE

Formula:	C₈H₄ClF₃N₂
Molecular Weight:	220.581
Synonyms:	1H-Benzimidazole,4-chloro-6-(trifluoromethyl)- (9CI);
Density:	1.569 g/cm³
Melting Point:	210-212°C
Boiling Point:	355 °C at 760 mmHg
Flash Point:	168.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	28.68000
LogP:	3.23510

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Specification

This chemical is called 1H-Benzimidazole, 7-chloro-5-(trifluoromethyl)-, and its systematic name is 4-chloro-6-(trifluoromethyl)-1H-benzimidazole. With the molecular formula of C₈H₄ClF₃N₂, its molecular weight is 220.58. The CAS registry number of this chemical is 175135-13-4. Additionally, its product categories are Halides; Imidazoles & Benzimidazoles; Imidazol & Benzimidazole.

Other characteristics of the 1H-Benzimidazole, 7-chloro-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 71.76; (6)ACD/BCF (pH 7.4): 70.1; (7)ACD/KOC (pH 5.5): 740.84; (8)ACD/KOC (pH 7.4): 723.64; (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: 168.5 °C; (20)Enthalpy of Vaporization: 57.64 kJ/mol; (21)Boiling Point: 355 °C at 760 mmHg; (22)Vapour Pressure: 6.6E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c2cc1c(ncn1)c(Cl)c2
2.InChI: InChI=1/C8H4ClF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
3.InChIKey: MKRPZDBFYQLJPO-UHFFFAOYAI