Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xi | |
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 |
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