CAS No.143874-13-9,3,4-DIFLUOROPHENYLACETYLENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	143874-13-9
Name:	3,4-DIFLUOROPHENYLACETYLENE
Article Data:	3

Formula:	C₈H₄F₂
Molecular Weight:	138.117
Synonyms:	3,4-Difluoro-1-ethynylbenzene;3,4-Difluorophenylacetylene;4-Ethynyl-1,2-difluorobenzene;
Density:	1.17 g/cm³
Boiling Point:	145.917 °C at 760 mmHg
Flash Point:	31.4 °C
Hazard Symbols:	F
Risk Codes:	11
Transport Information:	UN 1993
PSA:	0.00000
LogP:	1.94610

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Specification

The Benzene, 4-ethynyl-1, 2-difluoro-, with the CAS registry number 143874-13-9, is also known as 3, 4-Difluorophenylacetylene. This chemical's molecular formula is C₈H₄F₂ and molecular weight is 138.11. What's more, its systematic name is 4-Ethynyl-1, 2-difluorobenzene. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source.

Physical properties about Benzene, 4-ethynyl-1, 2-difluoro- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 40; (6)ACD/BCF (pH 7.4): 40; (7)ACD/KOC (pH 5.5): 490; (8)ACD/KOC (pH 7.4): 490; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 34.039 cm³; (15)Molar Volume: 117.283 cm³; (16)Polarizability: 13.494×10^-24 cm³; (17)Surface Tension: 31.498 dyne/cm; (18)Density: 1.178 g/cm³; (19)Flash Point: 31.371 °C; (20)Enthalpy of Vaporization: 36.715 kJ/mol; (21)Boiling Point: 145.917 °C at 760 mmHg; (22)Vapour Pressure: 5.998 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(C#C)cc1F
(2) InChI: InChI=1/C8H4F2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
(3) InChIKey: XFPAOXIWRDDQGG-UHFFFAOYAI