1-Ethynyl-3-fluorobenzene

Basic Information

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CAS Number

2561-17-3

Molecular Formula

C8H5F

Molecular Weight

120.12 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

Melting Point

138 °C

Boiling Point

40°C/29mmHg

Refractive Index

n20/D 1.5170(lit.)

SMILES

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

InChI

InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChIKey

PTRUTZFCVFUTMW-UHFFFAOYSA-N

LogP

1.80700

Complexity

131

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

3-fluorophenyl acetylene
A5151
1-Ethynyl-3-fluorobenzene
3'-fluorophenyl acetylene
1-ethynyl-3fluorobenzene
ethynyl-3-fluorobenzene
1-ethynyl-3-fluoro-benzene
Benzene, 1-ethynyl-3-fluoro-
PS-9229
CS-W013579
EN300-192568
MFCD03093798
2561-17-3
PTRUTZFCVFUTMW-UHFFFAOYSA-N
SCHEMBL6913
3-Fluorophenylacetylene
FT-0634363
E1332
Q-103124
3'-Fluorophenylacetylene
3-fluorophenyl-acetylene
3-FC6H4CCH
AC-420
(3-fluorophenyl)-ethyne
1-Ethynyl-3-fluorobenzene, 98%
DTXSID30334284
AKOS009158105
AM20060575
(3-fluorophenyl)acetylene
1-(1-ethynyl)-3-fluorobenzene
1-fluoro-3-ethynylbenzene

MDL Number

MFCD03093798

Customs Code

2903999090

FAQ

What is 1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3)?

1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) is an aromatic compound with the chemical formula C7H5F2C≡CH. It has a molecular weight of approximately 140.1 g/mol and a melting point of 75-76°C. This compound is a colorless liquid with a faint odor.

What are the main uses of 1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3)?

1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) is primarily used in the synthesis of various organic compounds. It serves as a precursor in the pharmaceutical industry for the development of certain drugs. Additionally, it is utilized in academic and industrial research for organic synthesis and as a solvent.

Is 1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) safe?

1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) is generally safe when handled with appropriate precautions. However, it can be toxic if ingested or inhaled. Users should wear protective gloves, goggles, and a lab coat when handling this compound. It should be stored in a cool, dry place away from sources of ignition.

How should 1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) be stored?

1-Ethynyl-3-fluorobenzene (CAS: 2561-17-3) should be stored in a tightly sealed container, preferably in a cool, dry place at room temperature (15-25°C). It should be kept away from direct sunlight and sources of ignition. The storage area should have good ventilation to prevent the accumulation of flammable vapors.