5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile supplier

Name
5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 135108-48-4
Article Data10
CAS DataBase
Density 1.361 g/cm³
Solubility
Melting Point 145.9-146.8 °C(Solv: ethanol (64-17-5))
Formula C₁₀H₇FN₄
Boiling Point 402.429 °C at 760 mmHg
Molecular Weight 202.191
Flash Point 197.182 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms Cyanopyrazole 47A;5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile;
PSA 67.63000
LogP 2.04648

5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile Specification

The 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile, with the CAS registry number of 135108-48-4, is also known as 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-fluorophenyl)-. This chemical's molecular formula is C₁₀H₇FN₄ and molecular weight is 202.19.

Physical properties about the 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 130; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.63 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 54.241 cm³; (15)Molar Volume: 148.53 cm³; (16)Surface Tension: 52.199 dyne/cm; (17)Density: 1.361 g/cm³; (18)Flash Point: 197.182 °C; (19)Enthalpy of Vaporization: 65.358 kJ/mol; (20)Boiling Point: 402.429 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccccc1n2ncc(C#N)c2N
(2) InChI: InChI=1/C10H7FN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
(3) InChIKey: JJKQJLDSHKDCAM-UHFFFAOYAQ

Product Name

5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile Specification

Related Products

Hot Products