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| Name |
6-Chloro-2-(perfluoroethyl)benzimidazole |
EINECS | N/A |
| CAS No. | 58457-67-3 | Density | 1.61g/cm3 |
| PSA | 28.68000 | LogP | 3.87040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H4 Cl F5 N2 | Boiling Point | 305°Cat760mmHg |
| Molecular Weight | 270.59 | Flash Point | 138.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Benzimidazole,5-chloro-2-(pentafluoroethyl)- (9CI) |
6-Chloro-2-(perfluoroethyl)benzimidazole Chemical Properties
Molecular Structure of 6-Chloro-2-(perfluoroethyl)benzimidazole (CAS NO.58457-67-3):
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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
6-Chloro-2-(perfluoroethyl)benzimidazole 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, |
6-Chloro-2-(perfluoroethyl)benzimidazole 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) .
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