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4468-48-8

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4468-48-8 Structure

4468-48-8 Structure

Identification	More
[Name] 2-Phenylacetoacetonitrile
[CAS] 4468-48-8
[Synonyms] 2-OXO-1-PHENYLPROPYL CYANIDE 2-PHENYLACETOACETONITRILE 3-OXO-2-PHENYLBUTYRONITRILE A-ACETYLPHENYLACETONITRILE AKOS BBS-00002636 ALPHA-ACETYL BENZENEACETONITRILE ALPHA-ACETYLPHENYLACETONITRILE BENZENEACETONITRILE, ALPHA-ACETYL- 2-acetyl-2-phenyl-acetonitril 2-phenyl-acetoacetonitril acetonitrile,phenylaceto alpha-acetyl-benzeneacetonitril alpha-phenylacetoacetonitrile phenylaceto-acetonitrile usafpe-1 alpha-acetyl benzene acetonitride α-Acetyl Benzeneacetonitride BENZENEACETONITRILE,-ACETYL- A-ACETYL BENZENEACETONITRIDE alpha-Phenylacetyl Acetonitrile
[EINECS(EC#)] 224-737-4
[Molecular Formula] C10H9NO
[MDL Number] MFCD00001867
[Molecular Weight] 159.18
[MOL File] 4468-48-8.mol

Chemical Properties	Back Directory
[Melting point ] 92-94 °C(lit.)
[Boiling point ] 284.68°C (rough estimate)
[density ] 1.1202 (rough estimate)
[refractive index ] 1.5460 (estimate)
[storage temp. ] -20°C Freezer
[solubility ] DMF: 30 mg/ml; DMF:PBS (pH 7.2); (1:7): 0.12 mg/ml; DMSO: 25 mg/ml; Ethanol: 15 mg/ml
[form ] A crystalline solid
[color ] Crystals from EtOH (aq) or EtOAc/pet ether
[CAS DataBase Reference] 4468-48-8(CAS DataBase Reference)
[EPA Substance Registry System] 4468-48-8(EPA Substance)

Safety Data	Back Directory
[Hazard Codes ] Xn,Xi
[Risk Statements ] R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ] UN 3439 6.1/PG 3
[WGK Germany ] 3
[RTECS ] AL7708000
[Hazard Note ] Irritant
[TSCA ] TSCA listed
[HazardClass ] IRRITANT
[HS Code ] 2926907090
[Toxicity] LD50 ipr-mus: 200 mg/kg NTIS** AD277-689

Raw materials And Preparation Products	Back Directory
[Raw materials] Benzeneacetonitrile

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] alpha-Acetylphenylacetonitrile(4468-48-8).msds

Hazard Information	Back Directory
[Chemical Properties] Light Yellow Solid
[Uses] 2-Phenylacetoacetonitrile is an analytical reference standard categorized as a precursor in the synthesis of amphetamines.This product is intended for research and forensic applications.
[Safety Profile] Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx and CNí.

Spectrum Detail	Back Directory
[Spectrum Detail] 2-Phenylacetoacetonitrile(4468-48-8)MS 2-Phenylacetoacetonitrile(4468-48-8)¹HNMR 2-Phenylacetoacetonitrile(4468-48-8)¹³CNMR 2-Phenylacetoacetonitrile(4468-48-8)IR1 2-Phenylacetoacetonitrile(4468-48-8)IR2

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 4468-48-8(sigmaaldrich)

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