1-(4-Nitrophenyl)propan-2-one
Plain text
Chemfused. (2026). 1-(4-Nitrophenyl)propan-2-one, CAS 5332-96-7. Retrieved 2026-04-29 from https://chemfused.com/cas/5332-96-7
BibTeX
@misc{chemfused-cas-5332967,
title = {1-(4-Nitrophenyl)propan-2-one, CAS 5332-96-7},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/5332-96-7},
urldate = {2026-04-29}
}
1-(4-Nitrophenyl)propan-2-one (CAS 5332-96-7) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.17 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is 1-(4-Nitrophenyl)propan-2-one?
- Molecular Formula
- C9H9NO3
- Molecular Weight
- 179.17 g/mol
Structure Identifiers
- SMILES
- CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
- InChIKey
- GEWWCWZGHNIUBW-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 179.0582 Da
- XLogP
- 1.80
- TPSA
- 62.9 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 3
- Complexity
- 201
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H315 Causes skin irritation
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- 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)
- 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 (27)
- NSC581
- F467114
- FN69957
- NSC-581
- AS-33010
- SY226853
- 5332-96-7
- 676-546-4
- DB-052299
- ST50407224
- EN300-305301
- MFCD00051518
- SCHEMBL43494
- AKOS000216019
- DTXSID60277054
- RefChem:425985
- p-Nitrophenylazeton
- 4-Nitrophenylacetone
- p-nitrophenylacetone
- (4-Nitrophenyl)acetone
- 1-(4-Nitrophenyl)acetone
- 1-(4-Nitrophenyl)acetone #
- 1-(4-nitrophenyl)-2-propanone
- 1-(4-nitrophenyl)propan-2-one
- 1-(4-nitrophenyl)-propan-2-one
- 1-(4-nitro-phenyl)-propan-2-one
- 2-Propanone, 1-(4-nitrophenyl)-
Frequently asked questions
What is the CAS number of 1-(4-Nitrophenyl)propan-2-one?
The CAS Registry Number for 1-(4-Nitrophenyl)propan-2-one is 5332-96-7.
What is the molecular formula of 1-(4-Nitrophenyl)propan-2-one?
1-(4-Nitrophenyl)propan-2-one has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol.
What is the SMILES notation for 1-(4-Nitrophenyl)propan-2-one?
The SMILES notation for 1-(4-Nitrophenyl)propan-2-one is CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-].
Is 1-(4-Nitrophenyl)propan-2-one hazardous?
1-(4-Nitrophenyl)propan-2-one carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for 1-(4-Nitrophenyl)propan-2-one?
1-(4-Nitrophenyl)propan-2-one is also known as (4-Nitrophenyl)acetone, 1-(4-nitro-phenyl)-propan-2-one, 1-(4-nitrophenyl)-2-propanone, 1-(4-nitrophenyl)-propan-2-one, 1-(4-Nitrophenyl)acetone.
Data sourced from PubChem CID 219367. Last updated .
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