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50916-55-7

50916-55-7 Structure

50916-55-7 Structure
IdentificationMore
[Name]

3-(2-Bromoacetyl)benzonitrile
[CAS]

50916-55-7
[Synonyms]

3-(2-BROMOACETYL)BENZENECARBONITRILE
3-(2-BROMOACETYL)BENZONITRILE
3-CYANOPHENACYL BROMIDE
BUTTPARK 41\03-54
3-(Bromoacetyl)benzonitrile
3-(2-Bromoacetyl)benzonitrile, 95+%
3-Cyanophenacyl bromide 95%
3-(2-Bromoacetyl)benzonitrile3-(2-Bromoacetyl)benzonitrile
[Molecular Formula]

C9H6BrNO
[MDL Number]

MFCD00833267
[Molecular Weight]

224.05
[MOL File]

50916-55-7.mol
Chemical PropertiesBack Directory
[Melting point ]

65-67°C
[Boiling point ]

317.7±22.0 °C(Predicted)
[density ]

1.56±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Light yellow to Light orange
[InChI]

1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
[InChIKey]

XWCGNFLHRINYCE-UHFFFAOYSA-N
[SMILES]

BrCC(=O)c1cccc(c1)C#N
[CAS DataBase Reference]

50916-55-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3261
[WGK Germany ]

WGK 3
[Hazard Note ]

Corrosive
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Diethyl ether-->Petroleum ether-->Chloroform-->Bromine-->Acetic anhydride-->Sodium chloride-->Sodium bicarbonate-->Trifluoroacetic acid-->ZINC-->Allyl chloride-->Argon-->3-Bromobenzonitrile-->Dodecane-->COBALT(II) BROMIDE
Hazard InformationBack Directory
[Chemical Properties]

Light yellow solid
[Uses]

3-(2-Bromoacetyl)benzonitrile is used in the study of novel GSK-3 inhibitors as central nervous system agents.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-Bromoacetyl)benzonitrile(50916-55-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(2-bromoacetyl)benzonitrile(50916-55-7)
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