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304854-55-5

304854-55-5 Structure

304854-55-5 Structure
IdentificationMore
[Name]

3-Bromo-5-chlorobenzonitrile
[CAS]

304854-55-5
[Synonyms]

3-BROMO-5-CHLOROBENZONITRILE
[Molecular Formula]

C7H3BrClN
[MDL Number]

MFCD06200840
[Molecular Weight]

216.46
[MOL File]

304854-55-5.mol
Chemical PropertiesBack Directory
[Melting point ]

70.7-71.1°C
[Boiling point ]

144 °C / 12mmHg
[density ]

1.74±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

InChI=1S/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
[InChIKey]

DRKWKPSNVQVDKZ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(Cl)=CC(Br)=C1
[CAS DataBase Reference]

304854-55-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

 3-Bromo-5-chlorobenzonitrile is the intermediate that is used for the new type anticancer medicine, belongs to the fine-chemical intermediate technical field.
[Synthesis]

A solution of 1,3-dibromo-5-chlorobenzene (10 g, 37.34 mmol), pyridine (6.03 mL) and copper(I) cyanide (3.34 g, 37.34 ) in DMF (57.74 mL) was refluxed under nitrogen for 2 days. mmol) in DMF (57.74 mL) was refluxed under nitrogen for 2 days. The reaction
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-5-chlorobenzonitrile(304854-55-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

3-Bromo-5-chlorobenzonitrile,>98.0%(GC)(304854-55-5)
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