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| CAS No.: | 239087-05-9 |
|---|---|
| Name: | 2-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C8H7F4N |
| Molecular Weight: | 193.144 |
| Synonyms: | 2-Fluoro-4-(trifluoromethyl)benzylamine; |
| EINECS: | -0 |
| Density: | 1.312 g/cm3 |
| Boiling Point: | 184.9 °C at 760 mmHg |
| Flash Point: | 77.9 °C |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 3.00350 |
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Specification
The Benzenemethanamine,2-fluoro-4-(trifluoromethyl)-, with the CAS registry number 239087-05-9, is also known as 2-Fluoro-4-(trifluoromethyl)benzylamine. This chemical's molecular formula is C8H7F4N and molecular weight is 193.141493. Its IUPAC name is called [2-fluoro-4-(trifluoromethyl)phenyl]methanamine.
Physical properties of Benzenemethanamine,2-fluoro-4-(trifluoromethyl)-: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): -1.13; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.3; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 39.67 cm3; (13)Molar Volume: 147.1 cm3; (14)Surface Tension: 27.6 dyne/cm; (15)Density: 1.312 g/cm3; (16)Flash Point: 77.9 °C; (17)Enthalpy of Vaporization: 42.12 kJ/mol; (18)Boiling Point: 184.9 °C at 760 mmHg; (19)Vapour Pressure: 0.715 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)CN
(2)InChI: InChI=1S/C8H7F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2
(3)InChIKey: MQTBAGAVFDZXKF-UHFFFAOYSA-N