1H-Pyrazole-3-methanol,5-(2-furanyl)- supplier

Name
[5-(2-FURYL)-1H-PYRAZOL-3-YL]METHANOL
EINECS
CAS No. 84978-67-6
Article Data2
CAS DataBase
Density 1.335 g/cm³
Solubility
Melting Point 159 °C
Formula C₈H₈N₂O₂
Boiling Point 400.8 °C at 760 mmHg
Molecular Weight 164.164
Flash Point 196.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [5-(2-Furyl)-1H-pyrazol-4-yl]methanol;
PSA 62.05000
LogP 1.16200

1H-Pyrazole-3-methanol,5-(2-furanyl)- Specification

The 1H-Pyrazole-3-methanol,5-(2-furanyl)-, with the CAS registry number 84978-67-6, is also known as [5-(2-Furyl)-1H-pyrazol-4-yl]methanol. This chemical's molecular formula is C₈H₈N₂O₂ and molecular weight is 164.16. What's more, its systematic name is called (3-Furan-2-yl-1H-pyrazol-5-yl)methanol.

Physical properties about 1H-Pyrazole-3-methanol,5-(2-furanyl)- are: (1) ACD/LogP: 0.08; (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; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 26.44; (8) ACD/KOC (pH 7.4): 26.44; (9)#H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 40.19 Å²; (13) Index of Refraction: 1.601; (14)Molar Refractivity: 42.12 cm³; (15) Molar Volume: 122.8 cm³; (16) Surface Tension: 59.9 dyne/cm; (17) Density: 1.335 g/cm³; (18) Flash Point: 196.2 °C; (19) Enthalpy of Vaporization: 68.73 kJ/mol; (20) Boiling Point: 400.8 °C at 760 mmHg; (21) Vapour Pressure: 3.82E-07 mmHg at 25 °C; (22) Melting Point: 159 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(cc1c2occc2)CO
(2) InChI: InChI=1/C8H8N2O2/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,11H,5H2,(H,9,10)
(3) InChIKey: NBADTAIDQSLLHA-UHFFFAOYAZ

Product Name

[5-(2-FURYL)-1H-PYRAZOL-3-YL]METHANOL

1H-Pyrazole-3-methanol,5-(2-furanyl)- Specification

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