CAS No.1003708-66-4,2,5-Difluoro-4-methylbenzonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1003708-66-4
Name:	2,5-Difluoro-4-methylbenzonitrile

Formula:	C₈H₅F₂N
Molecular Weight:	153.13
Synonyms:	2,5-Difluoro-4-methylbenzonitrile;2,5-Difluoro-4-methylbenzenecarbonitrile;
Density:	1.21 g/cm³
Boiling Point:	215.5 °C at 760 mmHg
Flash Point:	84.1 °C
PSA:	23.79000
LogP:	2.14488

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Specification

The 2,5-Difluoro-4-methylbenzonitrile, with the CAS registry number 1003708-66-4, is also known as 2,5-Difluoro-4-methylbenzenecarbonitrile. It belongs to the product category of Fluorin-contained Benzonitrile series. This chemical's molecular formula is C₈H₅F₂N and molecular weight is 153.13. What's more, its systematic name is 2,5-difluoro-4-methylbenzonitrile.

Physical properties of 2,5-Difluoro-4-methylbenzonitrile are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.9; (6)ACD/BCF (pH 7.4): 14.9; (7)ACD/KOC (pH 5.5): 240.61; (8)ACD/KOC (pH 7.4): 240.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 36.16 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 14.33×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 84.1 °C; (20)Enthalpy of Vaporization: 45.18 kJ/mol; (21)Boiling Point: 215.5 °C at 760 mmHg; (22)Vapour Pressure: 0.147 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C(=C1)F)C#N)F
(2)InChI: InChI=1S/C8H5F2N/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3
(3)InChIKey: JPNDTPNCYOHHFX-UHFFFAOYSA-N