2-((4-Methoxyphenyl)ethynyl)benzaldehyde

Basic Information

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CAS Number

176910-67-1

Molecular Formula

C16H12O2

Molecular Weight

122.17 g/mol

Basic Physical Properties

Boiling Point

404°C at 760 mmHg

SMILES

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COC1=CC=C(C=C1)C#CC2=CC=CC=C2C=O

InChI

InChI=1S/C16H12O2/c1-18-16-10-7-13(8-11-16)6-9-14-4-2-3-5-15(14)12-17/h2-5,7-8,10-12H,1H3

InChIKey

RLDUQRLGSISLMK-UHFFFAOYSA-N

LogP

2.0036199999999997

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

328

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

Benzaldehyde, 2-[(4-methoxyphenyl)ethynyl]-
2-(4-methoxyphenylethynyl)benzaldehyde
2-[2-(4-methoxyphenyl)ethynyl]- benzaldehyde
2-((4-Methoxyphenyl)ethynyl)benzaldehyde
2-(4-METHOXY-PHENYLETHYNYL)-BENZALDEHYDE
2-(p-Anisylethynyl)benzaldehyde
RLDUQRLGSISLMK-UHFFFAOYSA-N
2-(4-methoxy phenylethynyl)benzaldehyde
AK431647
2-[2-(4-methoxyphenyl)ethynyl]benzaldehyde
CS-0150440
DS-18766
SCHEMBL312237
DB-089436
176910-67-1
F21358
AKOS015963498

MDL Number

MFCD09030314

FAQ

What is 2-((4-Methoxyphenyl)ethynyl)benzaldehyde (CAS: 176910-67-1)?

2-((4-Methoxyphenyl)ethynyl)benzaldehyde is an organic compound with the CAS number 176910-67-1. It contains a benzaldehyde group with an ethynyl group attached to a 4-methoxyphenyl ring. This compound exhibits characteristics typical of aldehydes and has a molecular formula of C14H12O2.

What are the main uses of 2-((4-Methoxyphenyl)ethynyl)benzaldehyde (CAS: 176910-67-1)?

2-((4-Methoxyphenyl)ethynyl)benzaldehyde is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of fragrances and as a research reagent in organic chemistry.

Is 2-((4-Methoxyphenyl)ethynyl)benzaldehyde (CAS: 176910-67-1) safe?

2-((4-Methoxyphenyl)ethynyl)benzaldehyde is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines, including the use of personal protective equipment (PPE) such as gloves and goggles, to avoid skin and eye contact. It should be stored away from sources of ignition and kept in a cool, dry place.

How should 2-((4-Methoxyphenyl)ethynyl)benzaldehyde (CAS: 176910-67-1) be stored?

2-((4-Methoxyphenyl)ethynyl)benzaldehyde should be stored in a cool, dry place, away from direct sunlight and heat sources. It is advisable to keep it in a tightly sealed container to prevent moisture absorption and degradation. Ensure good ventilation in the storage area to avoid the buildup of flammable vapors.