CAS No.34810-67-8,2-(1H-Pyrazol-3-yl)phenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34810-67-8
Name:	2-(1H-Pyrazol-3-yl)phenol
Article Data:	20

Formula:	C₉H₈N₂O
Molecular Weight:	160.175
Synonyms:	Phenol,o-pyrazol-3-yl- (6CI);2-(Pyrazol-5-yl)phenol;3-(2-Hydroxyphenyl)-1H-pyrazole;3-(2-Hydroxyphenyl)pyrazole;Phenol,2-(1H-pyrazol-3-yl)-;o-(1H-Pyrazol-3-yl)phenol;
EINECS:	252-222-4
Density:	1.285 g/cm³
Melting Point:	90-94 °C(lit.)
Boiling Point:	381.028 °C at 760 mmHg
Flash Point:	184.239 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	48.91000
LogP:	1.78230

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Specification

The 2-(1H-Pyrazol-3-yl)phenol, with the CAS registry number 34810-67-8, is also known as 2-(Pyrazol-5-yl)phenol. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. Its EINECS number is 252-222-4. This chemical's molecular formula is C₉H₈N₂O and molecular weight is 160.17. What's more, its systematic name is (6E)-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one.

Physical properties of 2-(1H-Pyrazol-3-yl)phenol are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/KOC (pH 5.5): 87; (6)ACD/KOC (pH 7.4): 85; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 48.91 Å²; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 45.251 cm³; (13)Molar Volume: 124.694 cm³; (14)Surface Tension: 61.645 dyne/cm; (15)Density: 1.285 g/cm³; (16)Flash Point: 184.239 °C; (17)Enthalpy of Vaporization: 65.39 kJ/mol; (18)Boiling Point: 381.028 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C2C=CNN2)C(=O)C=C1
(2)Isomeric SMILES: C1=C/C(=C\2/C=CNN2)/C(=O)C=C1
(3)InChI: InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,10-11H/b8-7+
(4)InChIKey: SUWASPSYOCZZQV-BQYQJAHWSA-N