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87781-93-9

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87781-93-9 Structure

87781-93-9 Structure
IdentificationBack Directory
[Name]

2-Bromohypoxanthine
[CAS]

87781-93-9
[Synonyms]

2-BROMOHYPOXANTHINE
2-Bromohypoxanthine 96%
2-Bromo-1H-purin-6(7H)-one
2-Bromo-3,7-dihydropurin-6-one
2-Bromo-1,7-dihydro-6H-purin-6-one
6H-Purin-6-one, 2-bromo-1,9-dihydro-
[Molecular Formula]

C5H3BrN4O
[MDL Number]

MFCD03093927
[MOL File]

87781-93-9.mol
[Molecular Weight]

215.01
Chemical PropertiesBack Directory
[Melting point ]

>350 °C (lit.)
[density ]

2.54±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

7.95±0.20(Predicted)
[InChI]

1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
[InChIKey]

ONXCBJOMYNPZNI-UHFFFAOYSA-N
[SMILES]

BrC1=Nc2nc[nH]c2C(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

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

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromohypoxanthine(87781-93-9)IR
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