3',5'-Bis(trifluoromethyl)phenyl acetylene supplier

Name
3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE
EINECS
CAS No. 88444-81-9
Article Data14
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₁₀H₄F₆
Boiling Point 160 °C at 760 mmHg
Molecular Weight 238.132
Flash Point 44.1 °C
Transport Information
Appearance
Safety 16-26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Ethynyl-3,5-bis(trifluoromethyl)benzene;1-[3,5-Bis(trifluoromethyl)phenyl]acetylene;3,5-Bis(trifluoromethyl)phenylacetylene;3,5-Bis(trifluoromethyl)phenylethyne;3',5'-Bis(Trifluoromethyl)phenylacetylene;
PSA 0.00000
LogP 3.70550

3',5'-Bis(trifluoromethyl)phenyl acetylene Specification

The Benzene,1-ethynyl-3,5-bis(trifluoromethyl)-, with the CAS registry number 88444-81-9, is also known as 3',5'-Bis(trifluoromethyl)phenyl acetylene. It belongs to the product categories of Miscellaneous; Alkynyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C₁₀H₄F₆ and formula weight is 238.13. What's more, its IUPAC name is 1-ethynyl-3,5-bis(trifluoromethyl)benzene.

Physical properties of Benzene,1-ethynyl-3,5-bis(trifluoromethyl)- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/BCF (pH 5.5): 474.03; (5)ACD/KOC (pH 5.5): 2863.82; (6)Index of Refraction: 1.423; (7)Molar Refractivity: 43.79 cm³; (8)Molar Volume: 171.7 cm³; (9)Surface Tension: 25.7 dyne/cm; (10)Density: 1.38 g/cm³; (11)Flash Point: 44.1 °C; (12)Enthalpy of Vaporization: 38.03 kJ/mol; (13)Boiling Point: 160 °C at 760 mmHg; (14)Vapour Pressure: 3.16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin, so you need keep it away from sources of ignition - No smoking. When using it, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(C#C)cc(c1)C(F)(F)F
(2)InChI: InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H
(3)InChIKey: MAHIBRPXUPUAIF-UHFFFAOYSA-N

Product Name

3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE

3',5'-Bis(trifluoromethyl)phenyl acetylene Specification

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