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Cas Database |
| Name |
Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 13652-09-0 | Density | N/A |
| PSA | 26.02000 | LogP | 3.75100 |
| Solubility | N/A | Melting Point |
180 °C (sublm) |
| Formula | C8H9ClF3N | Boiling Point | 237.7 °C at 760 mmHg |
| Molecular Weight | 211.614 | Flash Point | 97.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes |
 Xi:; |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Benzenemethanamine,a-(trifluoromethyl)-,hydrochloride (9CI);Benzylamine, a-(trifluoromethyl)-, hydrochloride (8CI);(2,2,2-Trifluoro-1-phenylethyl)amine hydrochloride;2,2,2-trifluoro-1-phenylethan-1-amine hydrochloride;2,2,2-trifluoro-1-phenylethanamine hydrochloride (1:1); |
Article Data | 8 |
Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1) Specification
The Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1), with the CAS registry number 13652-09-0, has the systematic name of 2,2,2-trifluoro-1-phenylethanamine hydrochloride (1:1). It is a kind of irritant chemical. And the molecular formula of this chemical is C8H9ClF3N.
The physical properties of Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1) are as following: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 4.5; (6)ACD/BCF (pH 7.4): 17.49; (7)ACD/KOC (pH 5.5): 68.74; (8)ACD/KOC (pH 7.4): 267.07; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å2; (13)Flash Point: 97.6 °C; (14)Enthalpy of Vaporization: 48.42 kJ/mol; (15)Boiling Point: 237.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0356 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NC(c1ccccc1)C(F)(F)F
(2)InChI: InChI=1/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
(3)InChIKey: LCQGOISHUDYBOS-UHFFFAOYAZ
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