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| CAS No.: | 3671-66-7 |
|---|---|
| Name: | 5-AMINO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6F3N3 |
| Molecular Weight: | 201.151 |
| Synonyms: | 1H-Benzimidazol-5-amine,2-(trifluoromethyl)- (9CI);Benzimidazole, 5(or 6)-amino-2-(trifluoromethyl)-(7CI);Benzimidazole, 5-amino-2-(trifluoromethyl)- (8CI);2-Trifluoromethyl-1H-benzimidazol-5-ylamine;2-Trifluoromethyl-1H-benzoimidazole-5-amine;5-Amino-2-(trifluoromethyl)benzimidazole;5-Amino-2-trifluoromethyl-1H-benzimidazole; |
| EINECS: | 206-682-8 |
| Density: | 1.536g/cm3 |
| Melting Point: | 185-189 °C(lit.) |
| Boiling Point: | 353.1 °C at 760 mmHg |
| Flash Point: | 167.3 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2811 |
| PSA: | 54.70000 |
| LogP: | 2.74510 |
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Chemistry
IUPAC Name: 2-(trifluoromethyl)-3H-benzimidazol-5-amine
Empirical Formula: C8H6F3N3
Molecular Weight: 201.1485
Structure of 1H-Benzimidazol-6-amine,2-(trifluoromethyl)- (CAS NO.3671-66-7):
Index of Refraction: 1.617
Molar Refractivity: 45.83 cm3
Molar Volume: 130.8 cm3
Polarizability: 18.17×10-24cm3
Surface Tension: 49.9 dyne/cm
Density: 1.536 g/cm3
Flash Point: 167.3 °C
Enthalpy of Vaporization: 59.8 kJ/mol
Melting Point: 185-189 °C(lit.)
Boiling Point: 353.1 °C at 760 mmHg
Vapour Pressure: 3.67E-05 mmHg at 25°C
Product Categories: Imidazol&Benzimidazole;Benzimidazoles;Building Blocks;Heterocyclic Building Blocks
Canonical SMILES: C1=CC2=C(C=C1N)NC(=N2)C(F)(F)F
InChI: InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKey: CKEKFQLHCAZGSP-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 67mg/kg (67mg/kg) | Pesticide Science. Vol. 15, Pg. 31, 1984. |
Safety Profile
Hazard Codes: 
T
Risk Statements: 25-36/37/38
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: DD6205700
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III
Specification
1H-Benzimidazol-6-amine,2-(trifluoromethyl)- , its cas register number is 3671-66-7. It also can be called 5-Amino-2-(trifluoromethyl)benzimidazole ; 2-(Trifluoromethyl)-1H-benzimidazol-6-amine ; 2-(trifluoromethyl)-1H-benzimidazol-5-amine dihydrochloride ; 2-Trifluoromethyl-3H-benzoimidazol-5-ylamine .