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71022-43-0

71022-43-0 Structure

71022-43-0 Structure
IdentificationMore
[Name]

3,5-DINITROBENZYL ALCOHOL
[CAS]

71022-43-0
[Synonyms]

3,5-DINITROBENZYL ALCOHOL
(3,5-DINITRO-PHENYL)-METHANOL
3,5-DINITROBENZYL ALCOHOL 98+%
3,5-Dinitrobenzenemethanol
[EINECS(EC#)]

275-131-1
[Molecular Formula]

C7H6N2O5
[MDL Number]

MFCD00007235
[Molecular Weight]

198.13
[MOL File]

71022-43-0.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow amorphous powder and chunks
[Melting point ]

88-91 °C (lit.)
[Boiling point ]

335.43°C (rough estimate)
[density ]

1.560±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5460 (estimate)
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

13.40±0.10(Predicted)
[color ]

Light orange to Yellow to Green
[BRN ]

2054388
[InChI]

InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2
[InChIKey]

GPHYIQCSMDYRGJ-UHFFFAOYSA-N
[SMILES]

C1(CO)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1
[CAS DataBase Reference]

71022-43-0(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

22-36/37/38
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29062990
Hazard InformationBack Directory
[Chemical Properties]

slightly yellow amorphous powder and chunks
[Uses]

3,5-Dinitrobenzyl alcohol was used in the synthesis of 3,5-bis((bezoxycarbonyl)imino)benzyl alcohol.
[General Description]

3,5-Dinitrobenzyl alcohol on reaction with p-toluenesulphonyl chloride yields 3,5-dinitrobenzyl p-toluenesulphonate.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DINITROBENZYL ALCOHOL(71022-43-0)MS
3,5-DINITROBENZYL ALCOHOL(71022-43-0)1HNMR
3,5-DINITROBENZYL ALCOHOL(71022-43-0)IR1
3,5-DINITROBENZYL ALCOHOL(71022-43-0)IR2
3,5-DINITROBENZYL ALCOHOL(71022-43-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

71022-43-0(sigmaaldrich)
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