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58457-67-3

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Basic Information
CAS No.: 58457-67-3
Name: 6-Chloro-2-(perfluoroethyl)benzimidazole
Molecular Structure:
Molecular Structure of 58457-67-3 (6-Chloro-2-(perfluoroethyl)benzimidazole)
Formula: C9H4 Cl F5 N2
Molecular Weight: 270.59
Synonyms: 1H-Benzimidazole,5-chloro-2-(pentafluoroethyl)- (9CI)
Density: 1.61g/cm3
Boiling Point: 305°Cat760mmHg
Flash Point: 138.3°C
PSA: 28.68000
LogP: 3.87040
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Chemistry

Molecular Structure of 6-Chloro-2-(perfluoroethyl)benzimidazole (CAS NO.58457-67-3):

IUPAC Name: 6-Chloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole 
Molecular Formula: C9H4ClF5N2
Molecular Weight: 270.59 
Mol File: 58457-67-3.mol 
XLogP3: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 6
Index of Refraction: 1.524
Molar Refractivity: 51.42 cm3
Molar Volume: 168 cm3
Surface Tension: 36.1 dyne/cm
Density: 1.61 g/cm3
Flash Point: 138.3 °C
Enthalpy of Vaporization: 52.36 kJ/mol
Boiling Point: 305 °C at 760 mmHg
Vapour Pressure: 0.00152 mmHg at 25 °C
Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)C(C(F)(F)F)(F)F
InChI: InChI=1S/C9H4ClF5N2/c10-4-1-2-5-6(3-4)17-7(16-5)8(11,12)9(13,14)15/h1-3H,(H,16,17)
InChIKey: HHNGOBUJWGLZRV-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07547,

Specification

 6-Chloro-2-(perfluoroethyl)benzimidazole (CAS NO.58457-67-3), its Synonyms are Benzimidazole, 5(or 6)-chloro-2-pentafluoroethyl- ; 1H-Benzimidazole,6-chloro-2-(1,1,2,2,2-pentafluoroethyl)- ; 1H-Benzimidazole,5-chloro-2-(pentafluoroethyl)- (9CI) .