1-Ethynyl-3,5-bis(trifluoromethyl)benzene

Basic Information

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CAS Number

88444-81-9

Molecular Formula

C10H4F6

Molecular Weight

238.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

74°C/60mmHg

Density

1.346 g/mL at 25 °C

Refractive Index

n20/D 1.4230(lit.)

SMILES

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C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H

InChIKey

MAHIBRPXUPUAIF-UHFFFAOYSA-N

LogP

3.70550

Complexity

269

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Synonyms & References

English

3',5'-Bis(trifluoromethyl)phenyl acetylene
1-Ethynyl-3,5-bis(trifluoromethyl)benzene
3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE
3',5'-Bis-trifluoromethylphenyl acetylene
3',5'-Bis(trifluoromethyl)phenylacetylene
MAHIBRPXUPUAIF-UHFFFAOYSA-N
PubChem2734
3',5'-Bis-trifluoromethylphenylacetylene
1,3-bis(trifluoromethyl)-5-ethynylbenzene
PC5951
SBB063619
KM2612
VZ25663
1-Ethynyl-3,5-bis(trifluoromethyl)benzene (ACI)
1-[3,5-Bis(trifluoromethyl)phenyl]acetylene
3,5-Bis(trifluoromethyl)phenylacetylene
3,5-Bis(trifluoromethyl)phenylethyne
3,5-Di(trifluoromethyl)phenylacetylene
DB-012620
SCHEMBL313640
CS-0100907
1-Ethynyl-3,5-bis(trifluoromethyl)benzene, 97%
SY234776
AKOS015853187
CHEMBL4639052
DTXSID70363735
DTXCID70314782
PS-7623
Q-102446
MFCD01861850
EN300-1938558

MDL Number

MFCD01861850

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS: 88444-81-9)?

1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS: 88444-81-9) is subject to various regulatory guidelines under the Globally Harmonized System (GHS) of Classification and Labeling of Chemicals, including Hazard Communication Standard (HCS) under OSHA, REACH regulations in the European Union, and FDA/EPA guidelines. It is classified as a hazardous substance and requires appropriate labeling and safety data sheets (SDS).

Are there alternatives to 1-Ethynyl-3,5-bis(trifluoromethyl)benzene in synthesis?

While 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is a specific compound, there are alternative reagents used in synthesis. For example, trifluoromethylated anilines or other ethynyl-substituted benzenes can be used as alternatives, depending on the desired product and reaction conditions. These alternatives can offer similar functional groups but with different structural properties.

What is the market or research trend for 1-Ethynyl-3,5-bis(trifluoromethyl)benzene?

The market for 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is primarily driven by its use in pharmaceuticals and materials science. Research trends show a growing interest in trifluoromethylated compounds for drug development due to their unique physicochemical properties. Additionally, there is increasing exploration of these compounds in polymer chemistry and sensing applications.

How should waste containing 1-Ethynyl-3,5-bis(trifluoromethyl)benzene be handled?

Waste containing 1-Ethynyl-3,5-bis(trifluoromethyl)benzene should be handled according to local hazardous waste regulations. Typically, it should be collected in appropriate containers, labeled with the correct hazard information, and transported to a licensed disposal facility. Incineration is a common method of disposal, but ensure that it is conducted under controlled conditions to minimize environmental impact. Proper disposal methods should be planned and documented to comply with regulatory requirements.