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2-(1H-Pyrazol-3-yl)phenol

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Name

2-(1H-Pyrazol-3-yl)phenol

EINECS 252-222-4
CAS No. 34810-67-8 Density 1.285 g/cm3
PSA 48.91000 LogP 1.78230
Solubility N/A Melting Point 90-94 °C(lit.)
Formula C9H8N2O Boiling Point 381.028 °C at 760 mmHg
Molecular Weight 160.175 Flash Point 184.239 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 34810-67-8 (2-(1H-Pyrazol-3-yl)phenol) Hazard Symbols IrritantXi
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;

Article Data 20

2-(1H-Pyrazol-3-yl)phenol 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

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