CAS No.403648-76-0,4-DIFLUOROMETHYLPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	403648-76-0
Name:	4-DIFLUOROMETHYLPHENOL
Article Data:	3

Formula:	C₇H₆F₂O
Molecular Weight:	144.121
Synonyms:	4-(Difluoromethyl)phenol;
Density:	1.244 g/cm³
Boiling Point:	200.334 °C at 760 mmHg
Flash Point:	74.959 °C
PSA:	20.23000
LogP:	2.32980

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Specification

The Phenol,4-(difluoromethyl)- has the CAS registry number 403648-76-0. This chemical's molecular formula is C₇H₆F₂O and molecular weight is 144.12. What's more, its systematic name is 4-(difluoromethyl)phenol.

Physical properties of Phenol,4-(difluoromethyl)- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.908; (4)ACD/LogD (pH 7.4): 1.902; (5)ACD/BCF (pH 5.5): 16.612; (6)ACD/BCF (pH 7.4): 16.355; (7)ACD/KOC (pH 5.5): 260.117; (8)ACD/KOC (pH 7.4): 256.094; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 33.381 cm³; (15)Molar Volume: 115.818 cm³; (16)Surface Tension: 32.615 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 74.959 °C; (19)Enthalpy of Vaporization: 45.438 kJ/mol; (20)Boiling Point: 200.334 °C at 760 mmHg; (21)Vapour Pressure: 0.23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(F)F)O
(2)InChI: InChI=1S/C7H6F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7,10H
(3)InChIKey: TVYWELCSXTZXCL-UHFFFAOYSA-N