Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)-

Related Products

Hot Products

Name

1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)-

EINECS 1312995-182-4
CAS No. 497833-04-2 Density 1.407 g/cm3
PSA 34.89000 LogP 1.25140
Solubility N/A Melting Point 56-58 °C(Solv: hexane (110-54-3))
Formula C6H5F3N2O Boiling Point 231.987 °C at 760 mmHg
Molecular Weight 178.114 Flash Point 94.103 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 497833-04-2 (4-Formyl-5-(trifluoromethyl)-1-methyl-1H-pyrazole) Hazard Symbols N/A
Synonyms

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde;

Article Data 3

1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)- Specification

The 1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)-, with the CAS registry number 497833-04-2, is also known as 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde. It belongs to the product categories of Building Blocks; Pyrazole. This chemical's molecular formula is C6H5F3N2O and molecular weight is 178.11. What's more, its IUPAC name is called 1-Methyl-5-(trifluoromethyl)pyrazole-4-carbaldehyde.

Physical properties about 1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)- are: (1)ACD/LogP: 0.077; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.24; (8)ACD/KOC (pH 7.4): 26.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 35.465 cm3; (15)Molar Volume: 126.58 cm3; (16)Polarizability: 14.06×10-24cm3; (17)Surface Tension: 30.988 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 94.103 °C; (20)Enthalpy of Vaporization: 46.866 kJ/mol; (21)Boiling Point: 231.987 °C at 760 mmHg; (22)Vapour Pressure: 0.060 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1c(C=O)cnn1C
(2) InChI: InChI=1S/C6H5F3N2O/c1-11-5(6(7,8)9)4(3-12)2-10-11/h2-3H,1H3
(3) InChIKey: UPFJYPJGFYQTRE-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 497833-04-2