3-Ethynylbenzaldehyde

Basic Information

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CAS Number

77123-56-9

Molecular Formula

C9H6O

Molecular Weight

130.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

75-80 °C

SMILES

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

InChI

InChI=1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H

InChIKey

IGIUWNVGCVCNPV-UHFFFAOYSA-N

LogP

1.48040

Complexity

163

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

UNII-UT20G3FW1K
AC-5092
SY273914
UT20G3FW1K
IGIUWNVGCVCNPV-UHFFFAOYSA-N
77123-56-9
3-Ethynyl-benzaldehyde
F21254
FT-0641633
AKOS000111536
MFCD06245349
AB23573
A1-00156
3ethynylbenzaldehyde
SCHEMBL577853
3-ethynylbenzaldehyde
EN300-1725470
BENZALDEHYDE, 3-ETHYNYL-
(3-Formylphenyl)acetylene
3-Ethynylbenzaldehyde, 97%
W-203766
CS-0028345
m-Ethynylbenzaldehyde
Z1201623414
PS-3047
DTXSID50377991
A838963
3-Ethynylbenzaldehyde
Benzaldehyde,3-ethynyl-
C9H6O
3-ethynyl-benzaldehyde

MDL Number

MFCD06245349

Customs Code

2912299000

FAQ

What is 3-Ethynylbenzaldehyde (CAS: 77123-56-9)?

3-Ethynylbenzaldehyde is a chemical compound with the CAS number 77123-56-9. It is an aromatic aldehyde with the chemical formula C9H6O. The compound features a benzene ring with an ethynyl group (-C≡CH) attached to it. It is a clear, colorless liquid with a distinctive odor.

What are the main uses of 3-Ethynylbenzaldehyde (CAS: 77123-56-9)?

3-Ethynylbenzaldehyde is primarily used in the synthesis of other organic compounds, particularly in the pharmaceutical and fine chemical industries. It serves as an intermediate in the production of dyes, plastics, and other chemical products. Additionally, it is utilized in research for its reactivity and as a starting material for various chemical transformations.

Is 3-Ethynylbenzaldehyde (CAS: 77123-56-9) safe?

3-Ethynylbenzaldehyde is generally safe when handled with appropriate precautions. However, it can be toxic if ingested or inhaled. Skin contact should be avoided, and proper ventilation is necessary during handling. Protective gloves and safety glasses are recommended. In case of exposure, seek medical advice if symptoms persist.

How should 3-Ethynylbenzaldehyde (CAS: 77123-56-9) be stored?

3-Ethynylbenzaldehyde should be stored in a tightly sealed container to prevent evaporation and contamination. It should be kept away from heat, open flames, and other ignition sources. Store in a cool, dry place, away from direct sunlight and moisture. The storage temperature should not exceed 25°C (77°F).