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781654-31-7

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781654-31-7 Structure

781654-31-7 Structure
IdentificationBack Directory
[Name]

3-BROMO-4,5-DIMETHOXY-BENZONITRILE
[CAS]

781654-31-7
[Synonyms]

AKOS B004808
OTAVA-BB BB7018930019
3-BROMO-4,5-DIMETHOXY-BENZONITRILE
Benzonitrile, 3-bromo-4,5-dimethoxy-
[Molecular Formula]

C9H8BrNO2
[MDL Number]

MFCD02256494
[MOL File]

781654-31-7.mol
[Molecular Weight]

242.07
Chemical PropertiesBack Directory
[Melting point ]

117 °C
[Boiling point ]

291.1±40.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

1S/C9H8BrNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,1-2H3
[InChIKey]

PTCVIEQABWPBTA-UHFFFAOYSA-N
[SMILES]

Brc1c(c(cc(c1)C#N)OC)OC
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H302-H312-H315-H319-H331-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[RIDADR ]

UN3439
[WGK Germany ]

WGK 3
[HazardClass ]

6.1
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-4,5-DIMETHOXY-BENZONITRILE(781654-31-7)1HNMR
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