2-Amino-3-chloro-5-cyanobenzotrifluoride supplier

Name
2-AMINO-3-CHLORO-5-CYANOBENZOTRIFLUORIDE
EINECS
CAS No. 62584-25-2
Density 1.502 g/cm³
Solubility
Melting Point
Formula C₈H₄ClF₃N₂
Boiling Point 258.604 °C at 760 mmHg
Molecular Weight 220.581
Flash Point 110.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-5-chloro-α,α,α-trifluoro-m-tolunitrile;
PSA 49.81000
LogP 3.39388

2-Amino-3-chloro-5-cyanobenzotrifluoride Specification

The 2-Amino-3-chloro-5-cyanobenzotrifluoride, with the CAS registry number 62584-25-2, is also known as 4-Amino-5-chloro-α,α,α-trifluoro-m-tolunitrile. This chemical's molecular formula is C₈H₄ClF₃N₂ and molecular weight is 220.58. What's more, its systematic name is 4-Amino-3-chloro-5-(trifluoromethyl)benzonitrile.

Physical properties of 2-Amino-3-chloro-5-cyanobenzotrifluoride are: (1)ACD/LogP: 4.144; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 831.23; (6)ACD/BCF (pH 7.4): 831.23; (7)ACD/KOC (pH 5.5): 4280.94; (8)ACD/KOC (pH 7.4): 4280.94; (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: 1.521; (14)Molar Refractivity: 44.755 cm³; (15)Molar Volume: 146.854 cm³; (16)Polarizability: 17.742×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.502 g/cm³; (19)Flash Point: 110.2 °C; (20)Enthalpy of Vaporization: 49.621 kJ/mol; (21)Boiling Point: 258.604 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(cc1Cl)C#N)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H4ClF3N2/c9-6-2-4(3-13)1-5(7(6)14)8(10,11)12/h1-2H,14H2
(3)Std. InChIKey: YSBUJICJITXTSW-UHFFFAOYSA-N

Product Name

2-AMINO-3-CHLORO-5-CYANOBENZOTRIFLUORIDE

2-Amino-3-chloro-5-cyanobenzotrifluoride Specification

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