Benzaldehyde,3-(1H-pyrazol-1-yl)- supplier

Name
3-(1H-PYRAZOL-1-YL)BENZALDEHYDE
EINECS
CAS No. 852227-92-0
Article Data10
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 38-39 °C
Formula C₁₀H₈N₂O
Boiling Point 315.5 °C at 760 mmHg
Molecular Weight 172.186
Flash Point 144.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Pyrazol-1-yl-benzaldehyde;
PSA 34.89000
LogP 1.68480

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

The Benzaldehyde,3-(1H-pyrazol-1-yl)-, with the CAS registry number 852227-92-0, is also known as 3-Pyrazol-1-yl-benzaldehyde. This chemical's molecular formula is C₁₀H₈N₂O and molecular weight is 172.18. What's more, its systematic name is called 3-(1H-Pyrazol-1-yl)benzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde,3-(1H-pyrazol-1-yl)- are: (1) ACD/LogP: 1.54; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 34.89 Å²; (7) Index of Refraction: 1.604; (8) Molar Refractivity: 51.39 cm³; (9) Molar Volume: 149.2 cm³; (10) Surface Tension: 46.7 dyne/cm; (11) Density: 1.15 g/cm³; (12) Flash Point: 144.6 °C; (13) Enthalpy of Vaporization: 55.67 kJ/mol; (14) Boiling Point: 315.5 °C at 760 mmHg; (15) Vapour Pressure: 0.000436 mmHg at 25 °C; (16) Melting Point: 38-39 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(c1)n2nccc2
(2) InChI: InChI=1/C10H8N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-8H
(3) InChIKey: NKFXXJOWQSOGOF-UHFFFAOYAD

Product Name

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

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

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