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1H-Benzimidazole, 6-chloro-2-(trichloromethyl)-

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Name

1H-Benzimidazole, 6-chloro-2-(trichloromethyl)-

EINECS 222-713-8
CAS No. 3584-66-5 Density 1.704 g/cm3
PSA 28.68000 LogP 4.04300
Solubility N/A Melting Point 223-224 °C (dec.)(lit.)
Formula C8H4Cl4N2 Boiling Point 380.3 °C at 760 mmHg
Molecular Weight 269.945 Flash Point 215.7 °C
Transport Information UN 2811 Appearance light beige to light brown powder
Safety 22-26-36/37/39-45 24 25 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 3584-66-5 (5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE) Hazard Symbols IrritantXi,ToxicT
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;

Article Data 13

1H-Benzimidazole, 6-chloro-2-(trichloromethyl)- 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

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