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52407-43-9

52407-43-9 Structure

52407-43-9 Structure
IdentificationMore
[Name]

1-BENZOFURAN-3-YLACETONITRILE
[CAS]

52407-43-9
[Synonyms]

1-BENZOFURAN-3-YLACETONITRILE
3-BENZO[B]FURYLACETONITRILE
BENZO[B]FURAN-3-ACETONITRILE
BENZOFURAN-3-ACETONITRILE
Benzobüfuran-3-acetonitrile, 99%
[Molecular Formula]

C10H7NO
[MDL Number]

MFCD02183555
[Molecular Weight]

157.17
[MOL File]

52407-43-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

38-42 °C(lit.)
[Boiling point ]

120 °C0.5 mm Hg(lit.)
[density ]

1.185±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Store at room temperature
[form ]

solid
[Water Solubility ]

Insoluble in water.
[BRN ]

1282785
[InChI]

1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
[InChIKey]

BJAJKVZABJZXDC-UHFFFAOYSA-N
[SMILES]

N#CCc1coc2ccccc12
[CAS DataBase Reference]

52407-43-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[RIDADR ]

3276
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Methanol-->Diethyl ether-->Tetrahydrofuran-->Potassium carbonate-->Chloroform-->Magnesium sulfate-->Acetic anhydride-->Sodium chloride-->Acetone-->Hexane-->Sodium hydride-->Sodium acetate-->Ethyl bromoacetate-->Methyl salicylate-->Diethyl cyanomethylphosphonate
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

Benzo[b]furan-3-acetonitrile is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
[Synthesis]

1-Benzofuran-3-ylacetonitrile has been reported in the literature that it can be prepared from diethyl cyanomethyl phosphate and 3-coumaranone in a one-step reaction.
Spectrum DetailBack Directory
[Spectrum Detail]

1-BENZOFURAN-3-YLACETONITRILE(52407-43-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Benzofuran-3-ylacetonitrile, 97%(52407-43-9)
[Alfa Aesar]

Benzo[b]furan-3-acetonitrile, 99%(52407-43-9)
[Sigma Aldrich]

52407-43-9(sigmaaldrich)
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