Name: Phenol, 2,6-difluoro-3-methyl- (9CI)
SKU: 261763-46-6

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Basic Information

Molecular Structure:
CAS No.:	261763-46-6
Name:	Phenol, 2,6-difluoro-3-methyl- (9CI)

Formula:	C₇H₆F₂O
Molecular Weight:	144.121
Synonyms:	2,6-Difluoro-3-methylphenol;2,6-Difluoro-m-cresol;
Density:	1.28 g/cm³
Boiling Point:	154.3 °C at 760 mmHg
Flash Point:	47.1 °C
Appearance:	Colourless liquid with similar smell of phenol
PSA:	20.23000
LogP:	1.97880

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Specification

The Phenol,2,6-difluoro-3-methyl-, with the CAS registry number 261763-46-6, is also known as 2,6-Difluoro-m-cresol. This chemical's molecular formula is C₇H₆F₂O and molecular weight is 144.12. What's more, its systematic name is 2,6-Difluoro-3-methylphenol and it belongs to the product categories of Halide; Alcohol. The product should be sealed and stored in cool, ventilated and dry places. It should be protected from oxidizers.

Physical properties of Phenol,2,6-difluoro-3-methyl- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 41.43; (6)ACD/BCF (pH 7.4): 24.66; (7)ACD/KOC (pH 5.5): 499.14; (8)ACD/KOC (pH 7.4): 297.14; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 32.94 cm³; (15)Molar Volume: 112.5 cm³; (16)Polarizability: 13.06×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 47.1 °C; (20)Enthalpy of Vaporization: 40.71 kJ/mol; (21)Boiling Point: 154.3 °C at 760 mmHg; (22)Vapour Pressure: 2.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C=C1)F)O)F
(2)InChI: InChI=1S/C7H6F2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
(3)InChIKey: YKCLAAQQWYPEDW-UHFFFAOYSA-N