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

Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)-

Related Products

Hot Products

Name

Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)-

EINECS N/A
CAS No. 179056-80-5 Density N/A
PSA 34.89000 LogP 1.89960
Solubility N/A Melting Point N/A
Formula C11H10N2O Boiling Point N/A
Molecular Weight 186.21 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 179056-80-5 (3-(1-METHYL-1H-PYRAZOL-5-YL)BENZALDEHYDE) Hazard Symbols N/A
Synonyms

3-(1-METHYL-1H-PYRAZOL-5-YL)BENZALDEHYDE

Article Data 2

Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)- Specification

This chemical is called Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)-, and its systematic name is 3-(2-Methylpyrazol-3-yl)benzaldehyde. With the molecular formula of C11H10N2O, its molecular weight is 186.21. The CAS registry number of this chemical is 179056-80-5. 

Other characteristics of Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)- can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 183; (8)ACD/KOC (pH 7.4): 183; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 55.817 cm3; (15)Molar Volume: 164.533 cm3; (16)Polarizability: 22.127×10-24cm3; (17)Surface Tension: 43.068 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 168.747 °C; (20)Enthalpy of Vaporization: 60.056 kJ/mol; (21)Boiling Point: 355.411 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Production method of this chemical: The Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)- could be obtained by the reactant of 3-(2-Methyl-2H-pyrazol-3-yl)benzonitrile. This reaction needs the reagent of DIBAL, and the solvents of CH2Cl2, Toluene. The yield is 73 %. In addition, this reaction should be taken for 30 minutes at the temperature of -60 °C.

The Benzaldehyde,3-(1-methyl-1H-pyrazol-5-yl)- could be obtained by the reactant of 3-(2-Methyl-2H-pyrazol-3-yl)benzonitrile

You can still convert the following datas into molecular structure:
1.SMILES: Cn1c(ccn1)c2cccc(c2)C=O
2.InChI: InChI=1/C11H10N2O/c1-13-11(5-6-12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3
3.InChIKey: USEVTGNGZRHBKJ-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C11H10N2O/c1-13-11(5-6-12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3
5.Std. InChIKey: USEVTGNGZRHBKJ-UHFFFAOYSA-NS37/39:Wear suitable gloves and eye/face protection.

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 179056-80-5