1-Ethynyl-4-(trifluoromethyl)benzene

Basic Information

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CAS Number

705-31-7

Molecular Formula

C9H5F3

Molecular Weight

170.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

60°C/30mmHg

Density

1.043 g/mL at 25 °C

Refractive Index

n20/D 1.4650(lit.)

SMILES

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

InChI

InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H

InChIKey

XTKBMZQCDBHHKY-UHFFFAOYSA-N

LogP

2.68670

Complexity

188

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

4-trifluoromethylphenylacetylene
E0626
CS-0071274
1-ethynyl-4-trifluoromethylbenzene
AKOS009156709
A9301
4-Ethynyl-
A,
MLKSRSDPWVNPFY-UHFFFAOYSA-N
FT-0616937
1-ethynyl-4-(trifluoromethyl)benzene
4-Ethynylbenzotrifluoride
AMY1229
F0001-1824
Q-102444
4-(Trifluoromethyl)phenylacetylene
4'-(Trifluoromethyl)phenyl Acetylene
4'-Trifluoromethylphenyl acetylene
DTXSID20402209
1-ethynyl-4-(trifluoromethyl)-benzene
para-trifluoromethylphenylacetylene
MFCD01861903
4-Ethynyl-alpha,alpha,alpha-trifluorotoluene, 97%
BP-12638
SCHEMBL202305
4'-Trifluoromethylphenylacetylene
1-ethynyl-4-trifluoromethyl-benzene
A-trifluorotoluene
BCP15594
EN300-103793
4-Ethynyl- alpha , alpha , alpha -trifluorotoluene

MDL Number

MFCD01861903

Customs Code

2903999090

FAQ

What is 1-Ethynyl-4-(trifluoromethyl)benzene (CAS: 705-31-7)?

1-Ethynyl-4-(trifluoromethyl)benzene is a chemical compound with the CAS number 705-31-7. It has the molecular formula C9H3F3 and is a colorless to yellowish liquid with a distinctive odor. This compound is primarily used in the synthesis of other organic compounds and as a precursor in the pharmaceutical industry.

What are the main uses of 1-Ethynyl-4-(trifluoromethyl)benzene (CAS: 705-31-7)?

1-Ethynyl-4-(trifluoromethyl)benzene is mainly used in the pharmaceutical industry for the synthesis of drugs and as a precursor in the production of other organic compounds. It is also utilized in research and development for its unique chemical properties.

Is 1-Ethynyl-4-(trifluoromethyl)benzene (CAS: 705-31-7) safe?

1-Ethynyl-4-(trifluoromethyl)benzene (CAS 705-31-7) is generally considered safe when handled with appropriate protective measures. However, it is a hazardous material due to its flammability and potential for skin and eye irritation. Proper personal protective equipment, such as gloves and goggles, should be worn, and it should be stored in a well-ventilated area away from sources of ignition.

How should 1-Ethynyl-4-(trifluoromethyl)benzene (CAS: 705-31-7) be stored?

1-Ethynyl-4-(trifluoromethyl)benzene (CAS 705-31-7) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container made of appropriate materials, such as glass or metal, to prevent contamination and degradation. The storage area should be well-ventilated and access should be restricted to authorized personnel.