C10H9NO
159.18 g/mol
Pharmaceutical IntermediateWarning
Alpha-Phenylacetoacetonitrile
CAS4468-48-8EC224-737-4
Category
Pharmaceutical Intermediate
Compound Class
Aromatic
Primary Use
Pharmaceutical Intermediate
alpha-Phenylacetoacetonitrile is a chemical compound commonly used as an intermediate in pharmaceutical manufacturing. It features a structure containing an aromatic ring and a nitrile functional group, which contributes to its utility in organic synthesis.
Pharmaceutical intermediate for synthesis of active compoundsLaboratory research reagent in organic chemistry
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
Controlled substances
Substances on this list are tightly controlled under chemical-weapons or precursor regulations. ChemAbout does not facilitate their procurement; this page is a compliance reference only.
Relevant lists:CN Precursor Chemicals Cat.1UN 1988 Convention Table I PrecursorsUS DEA List I Chemicals
CAS 4468-48-8
Related Compounds
ReferenceSame Category
2-(trifluoromethyl)benzonitrile
CAS447-60-9
pharmaceutical intermediate
ReferenceSame Category
2-(Trifluoromethyl)benzaldehyde
CAS447-61-0
pharmaceutical intermediate
ReferenceSame Category
2-Amino-4-nitropyridine
CAS4487-50-7
pharmaceutical intermediate
ReferenceSame Category
2,4-Dichloro-5-nitropyridine
CAS4487-56-3
pharmaceutical intermediate
Safety Reference
Warning
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
Customs Tariff Classification
The international HS code for Alpha-Phenylacetoacetonitrile (CAS 4468-48-8) is 2926.40.
HS code (international, 6-digit)
2926.40
EU CN code (8-digit)
2926 40 00
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
3-oxo-2-phenylbutanenitrile
InChIKey
KHNWFTMUBKJWRZ-UHFFFAOYSA-N
SMILES
CC(=O)C(C#N)C1=CC=CC=C1
Synonyms (28)
- APAAN
- 1-Cyano-1-phenyl-2-propanone
- 1-Cyano-1-phenylpropan-2-one
- 2-Acetyl-2-phenylacetonitrile
- 2-Oxo-1-phenylpropyl cyanide
- 2-Phenylacetoacetonitrile
- 3-Oxo-2-phenylbutanenitrile
- 3-Oxo-2-phenylbutyronitrile
- ?-Acetylphenylacetonitrile
- Acetoacetonitrile, 2-phenyl-
- Acetonitrile, phenylaceto
- DEA NO. 8512
- Oxazolidine (Technical Grade)
- Phenyl-acetyl-acetonitril
- Phenylacetoacetonitrile
- USAF PE-1
- a-Acetyl-benzeneacetonitrile
- a-acetylphenylacetonitrile
- alpha-Phenylacetoacetonitrile