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81945-13-3

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81945-13-3 Structure

81945-13-3 Structure
IdentificationBack Directory
[Name]

1H-Inden-1-one,4-bromo-2,3-dihydro-7-hydroxy-
[CAS]

81945-13-3
[Synonyms]

4-Bromo-7-hydroxyindan-1-one
4-Bromo-7-hydroxy-1-indanone
4-Bromo-2,3-dihydro-7-hydroxy-1-indanone
4-Bromo-2,3-dihydro-7-hydroxy-1H-inden-1-one
4-bromo-7-hydroxy-2,3-dihydro-1H-inden-1-one
1H-Inden-1-one,4-bromo-2,3-dihydro-7-hydroxy-
[Molecular Formula]

C9H7BrO2
[MDL Number]

MFCD00463881
[MOL File]

81945-13-3.mol
[Molecular Weight]

227.05
Chemical PropertiesBack Directory
[Melting point ]

144-148℃
[Boiling point ]

371.2±42.0 °C(Predicted)
[density ]

1.751±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

9.72±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
[InChIKey]

ZTWBCFVYMDBPPD-UHFFFAOYSA-N
[SMILES]

Oc1ccc(Br)c2CCC(=O)c12
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Inden-1-one,4-bromo-2,3-dihydro-7-hydroxy-(81945-13-3)1HNMR
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