5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde supplier

Name
5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde
EINECS
CAS No. 591234-14-9
Article Data2
CAS DataBase
Density 1.546 g/cm³
Solubility
Melting Point
Formula C₅H₃F₃N₂O
Boiling Point 258.123 °C at 760 mmHg
Molecular Weight 164.02
Flash Point 109.909 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Trifluoromethyl)pyrazole-5-carbaldehyde;
PSA 45.75000
LogP 1.24100

5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde Specification

The 5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde, with the CAS registry number 591234-14-9, is also known as 3-(Trifluoromethyl)pyrazole-5-carbaldehyde. This chemical's molecular formula is C₅H₃F₃N₂O and molecular weight is 164.02. What's more, its systematic name is 3-(Trifluoromethyl)-1H-pyrazole-5-carbaldehyde.

Physical properties about 5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.703; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 2.011; (6)ACD/BCF (pH 7.4): 1.414; (7)ACD/KOC (pH 5.5): 57.302; (8)ACD/KOC (pH 7.4): 40.282; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 30.51 cm³; (15)Molar Volume: 106.156 cm³; (16)Polarizability: 12.095×10^-24 cm³; (17)Surface Tension: 37.841 dyne/cm; (18)Density: 1.546 g/cm³; (19)Flash Point: 109.909 °C; (20)Enthalpy of Vaporization: 49.571 kJ/mol; (21)Boiling Point: 258.123 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c([nH]nc1C(F)(F)F)C=O
(2) InChI: InChI=1/C5H3F3N2O/c6-5(7,8)4-1-3(2-11)9-10-4/h1-2H,(H,9,10)
(3) InChIKey: ILVBFKAVWNSXGZ-UHFFFAOYAX

Product Name

5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde

5-(Trifluoromethyl)-1H-pyrazole-3-carbaldehyde Specification

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