ChemicalBook--->CAS DataBase List--->4640-66-8

4640-66-8

4640-66-8 Structure

4640-66-8 Structure
IdentificationMore
[Name]

4-CHLOROBENZOYLACETONITRILE
[CAS]

4640-66-8
[Synonyms]

3-(4'-CHLOROPHENYL)-3-OXOPROPANENITRILE
3-(4-CHLOROPHENYL)-3-OXOPROPANENITRILE
3-(4-CHLORO-PHENYL)-3-OXO-PROPIONITRILE
4-CHLOROBENZOYLACETONITRILE
4-CHLOROBENZOYLACETONITRILE 98.5%
TOSYLATE
3-Oxo-3-(4-chlorophenyl)propanenitrile
3-Oxo-3-(4-chlorophenyl)propiononitrile
β-Oxo-4-chlorobenzenepropanenitrile
[Molecular Formula]

C9H6ClNO
[MDL Number]

MFCD00051625
[Molecular Weight]

179.6
[MOL File]

4640-66-8.mol
Chemical PropertiesBack Directory
[Appearance]

Light Yellow Needles
[Melting point ]

129-133 °C(lit.)
[Boiling point ]

349.3±22.0 °C(Predicted)
[density ]

1.2364 (rough estimate)
[refractive index ]

1.422-1.424
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol
[form ]

Light Yellow Needles
[pka]

7.37±0.10(Predicted)
[color ]

White to Yellow to Orange
[BRN ]

743368
[InChI]

InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
[InChIKey]

JYOUFPNYTOFCSJ-UHFFFAOYSA-N
[SMILES]

C(C1C=CC(Cl)=CC=1)(=O)CC#N
[CAS DataBase Reference]

4640-66-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

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 .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
[PackingGroup ]

III
[HS Code ]

29269090
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Needles
[Uses]

4-Chlorobenzoylacetonitrile (cas# 4640-66-8) is a compound useful in organic synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLOROBENZOYLACETONITRILE(4640-66-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzoylacetonitrile, 98%(4640-66-8)
[Alfa Aesar]

4-Chlorobenzoylacetonitrile, 98%(4640-66-8)
[Sigma Aldrich]

4640-66-8(sigmaaldrich)
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