CAS No.3584-66-5,5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3584-66-5
Name:	5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE
Article Data:	13

Formula:	C₈H₄Cl₄N₂
Molecular Weight:	269.945
Synonyms:	1H-Benzimidazole,5-chloro-2-(trichloromethyl)- (9CI);Benzimidazole, 5(or6)-chloro-2-(trichloromethyl)- (7CI);Benzimidazole,5-chloro-2-(trichloromethyl)- (8CI);2-Trichloromethyl-5(6)-chlorobenzimidazole;NSC 158057;6-Chloro-2-(trichloromethyl)-1H-benzimidazole;
EINECS:	222-713-8
Density:	1.704 g/cm³
Melting Point:	223-224 °C (dec.)(lit.)
Boiling Point:	380.3 °C at 760 mmHg
Flash Point:	215.7 °C
Appearance:	light beige to light brown powder
Hazard Symbols:	Xi,T
Risk Codes:	23/24/25-36/37/38
Safety:	22-26-36/37/39-45 24 25
Transport Information:	UN 2811
PSA:	28.68000
LogP:	4.04300

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Specification

The 1H-Benzimidazole, 6-chloro-2-(trichloromethyl)-, with the CAS registry number 3584-66-5, is also known as 2-Trichloromethyl-5(6)-chlorobenzimidazole. It belongs to the product categories of Benzimidazoles; Benzimidazoles Heterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Its EINECS number is 222-713-8.This chemical's molecular formula is C₈H₄Cl₄N₂ and molecular weight is 269.94. What's more, its IUPAC name is 6-chloro-2-(trichloromethyl)-1H-benzimidazole.

Physical properties of 1H-Benzimidazole, 6-chloro-2-(trichloromethyl)- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 501.02; (6)ACD/BCF (pH 7.4): 469.57; (7)ACD/KOC (pH 5.5): 2978.22; (8)ACD/KOC (pH 7.4): 2791.22; (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: 1.69; (14)Molar Refractivity: 60.55 cm³; (15)Molar Volume: 158.3 cm³; (16)Polarizability: 24×10^-24cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.704 g/cm³; (19)Flash Point: 215.7 °C; (20)Enthalpy of Vaporization: 60.38 kJ/mol; (21)Boiling Point: 380.3 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)C(Cl)(Cl)Cl
(2)InChI: InChI=1S/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: SIZGSKQSWJIWFP-UHFFFAOYSA-N