2-Amino-4-trifluoromethylbenzonitrile supplier

Name
2-Amino-4-trifluoromethylbenzonitrile
EINECS 216-047-7
CAS No. 1483-54-1
Article Data12
CAS DataBase
Density 1.37 g/cm³
Solubility
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
Appearance White solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
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;
PSA 49.81000
LogP 2.74048

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

Product Name

2-Amino-4-trifluoromethylbenzonitrile

2-Amino-4-trifluoromethylbenzonitrile Specification

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