4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL

The Phenol,4-chloro-2-(1H-pyrazol-3-yl)-, with the CAS registry number 18704-67-1, is also known as 4-Chloro-2-(1H-pyrazol-3-yl)phenol. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; Pyrazoles Heterocyclic Building Blocks. Its EINECS registry number is 242-516-0. This chemical's molecular formula is C₉H₇ClN₂O and molecular weight is 194.62. Its IUPAC name is called (6Z)-4-chloro-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one. This chemical is white crystalline powder.

Physical properties of Phenol,4-chloro-2-(1H-pyrazol-3-yl)-: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 18; (5)ACD/BCF (pH 7.4): 16; (6)ACD/KOC (pH 5.5): 275; (7)ACD/KOC (pH 7.4): 247; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.655; (12)Molar Refractivity: 50.146 cm³; (13)Molar Volume: 136.645 cm³; (14)Surface Tension: 63.193 dyne/cm; (15)Density: 1.424 g/cm³; (16)Flash Point: 202.515 °C; (17)Enthalpy of Vaporization: 68.948 kJ/mol; (18)Boiling Point: 411.246 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=O)C(=C2C=CNN2)C=C1Cl
(2)Isomeric SMILES: C1=CC(=O)/C(=C\2/C=CNN2)/C=C1Cl
(3)InChI: InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,11-12H/b8-7-
(4)InChIKey: BAWPNSUPRVQKKN-FPLPWBNLSA-N