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Cas Database |
| Name |
2-Amino-4-trifluoromethylbenzonitrile |
EINECS | 216-047-7 |
| CAS No. | 1483-54-1 | Density | 1.37 g/cm3 |
| PSA | 49.81000 | LogP | 2.74048 |
| Solubility | N/A | Melting Point |
88.0 to 92.0 °C |
| Formula | C8H5F3N2 | Boiling Point | 276.1 °C at 760 mmHg |
| Molecular Weight | 186.136 | Flash Point | 120.8 °C |
| Transport Information | N/A | Appearance | White solid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
|
| Synonyms |
p-Tolunitrile,2-amino-a,a,a-trifluoro- (7CI,8CI);2-Amino-4-(trifluoromethyl)benzonitrile;2-Cyano-5-trifluoromethylaniline;4-(Trifluoromethyl)anthranilonitrile; |
Article Data | 12 |
2-Amino-4-trifluoromethylbenzonitrile Specification
The Benzonitrile,2-amino-4-(trifluoromethyl)- with the CAS number 1483-54-1 is also called 2-Cyano-5-trifluoromethylaniline. The systematic name is 2-amino-4-(trifluoromethyl)benzonitrile. Its molecular formula is C8H5F3N2. The EINECS registry number is 216-047-7. The product category is Miscellaneous.
The properties of the Benzonitrile,2-amino-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 175.82; (6)ACD/BCF (pH 7.4): 175.82; (7)ACD/KOC (pH 5.5): 1408.08; (8)ACD/KOC (pH 7.4): 1408.1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 39.92 cm3; (15)Molar Volume: 135.7 cm3; (16)Polarizability: 15.82×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Enthalpy of Vaporization: 51.46 kJ/mol; (19)Vapour Pressure: 0.0049 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1N)C(F)(F)F
(2)InChI: InChI=1/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3H,13H2
(3)InChIKey: IAIRNHIXDCZUCV-UHFFFAOYAU
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