2-(3-Formylphenyl)acetonitrile
Plain text
Chemfused. (2026). 2-(3-Formylphenyl)acetonitrile, CAS 864674-53-3. Retrieved 2026-04-28 from https://chemfused.com/cas/864674-53-3
BibTeX
@misc{chemfused-cas-864674533,
title = {2-(3-Formylphenyl)acetonitrile, CAS 864674-53-3},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/864674-53-3},
urldate = {2026-04-28}
}
2-(3-Formylphenyl)acetonitrile (CAS 864674-53-3) is a chemical compound with molecular formula C9H7NO and molecular weight 145.16 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is 2-(3-Formylphenyl)acetonitrile?
- Molecular Formula
- C9H7NO
- Molecular Weight
- 145.16 g/mol
Structure Identifiers
- SMILES
- C1=CC(=CC(=C1)C=O)CC#N
- InChI
- InChI=1S/C9H7NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6-7H,4H2
- InChIKey
- BXYYEALGBJSZNM-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 145.0528 Da
- XLogP
- 1.20
- TPSA
- 40.9 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 2
- Complexity
- 179
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H302 Harmful if swallowed
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P270 Do not eat, drink or smoke when using this product
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P330 Rinse mouth
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (6)
- H61307
- 864674-53-3
- MFCD15528880
- SCHEMBL2561914
- 2-(3-Formylphenyl)acetonitrile
- 2-(3-formylphenyl)acetonitrile, AldrichCPR
Frequently asked questions
What is the CAS number of 2-(3-Formylphenyl)acetonitrile?
The CAS Registry Number for 2-(3-Formylphenyl)acetonitrile is 864674-53-3.
What is the molecular formula of 2-(3-Formylphenyl)acetonitrile?
2-(3-Formylphenyl)acetonitrile has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol.
What is the SMILES notation for 2-(3-Formylphenyl)acetonitrile?
The SMILES notation for 2-(3-Formylphenyl)acetonitrile is C1=CC(=CC(=C1)C=O)CC#N.
Is 2-(3-Formylphenyl)acetonitrile hazardous?
2-(3-Formylphenyl)acetonitrile carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for 2-(3-Formylphenyl)acetonitrile?
2-(3-Formylphenyl)acetonitrile is also known as 2-(3-Formylphenyl)acetonitrile, 2-(3-formylphenyl)acetonitrile, AldrichCPR, 864674-53-3, H61307, MFCD15528880.
Data sourced from PubChem CID 46172894. Last updated .
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