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60463-12-9

60463-12-9 Structure

60463-12-9 Structure
IdentificationBack Directory
[Name]

5-HYDROXY-2-NITROBENZYL ALCOHOL
[CAS]

60463-12-9
[Synonyms]

RARECHEM AL BD 0679
2-Nitro-5-hydroxybenzyl alcohol
3-(Hydroxymethyl)-4-nitrophenol
5-HYDROXY-2-NITROBENZYL ALCOHOL
5-Hydroxy-2-nitrobenzenemethanol
2-Nitro-5-hydroxybenzenemethanol
(5-Hydroxy-2-nitrophenyl)methanol
Benzenemethanol,5-hydroxy-2-nitro-
5-Hydroxy-2-nitrobenzyl alcohol 97%
5-HYDROXY-2-NITROBENZYL ALCOHOL ISO 9001:2015 REACH
[Molecular Formula]

C7H7NO4
[MDL Number]

MFCD00134308
[MOL File]

60463-12-9.mol
[Molecular Weight]

169.13
Chemical PropertiesBack Directory
[Melting point ]

111-115 °C (lit.)
[Boiling point ]

398.6±32.0 °C(Predicted)
[density ]

1.489±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

6.99±0.10(Predicted)
[Appearance]

Light brown to gray Solid
[InChI]

1S/C7H7NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2
[InChIKey]

ODWVFIWBWJXDMT-UHFFFAOYSA-N
[SMILES]

OCc1cc(O)ccc1[N+]([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

5-Hydroxy-2-nitrobenzyl alcohol may be used in the synthesis of 5-(2′-(dimethylamino)ethoxy)-2-nitrobenzyl alcohol. It may be used as difunctional photo-responsive initiator in the synthesis of thermo-responsive and photo-cleavable amphiphilic block copolymers containing photodegradable linkers as junction points between hydrophilic and hydrophobic chains.
[Synthesis]

5-Hydroxy-2-nitrobenzaldehyde

42454-06-8

5-HYDROXY-2-NITROBENZYL ALCOHOL

60463-12-9

General procedure for the synthesis of 5-hydroxy-2-nitrobenzaldehyde from 5-hydroxy-2-nitrobenzenemethanol: Sodium borohydride (1.4 g, 37.84 mmol) was slowly added to a solution of 5-hydroxy-2-nitrobenzaldehyde (4.07 g, 24.35 mmol) in methanol (30 mL) while the reaction mixture was cooled in an ice water bath. After the addition was completed, the reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the residue was recrystallized in methanol to give 4.0 g (23.62 mmol, 97% yield) of 5-hydroxy-2-nitrobenzyl alcohol.

[References]

[1] Angewandte Chemie - International Edition, 2006, vol. 45, # 17, p. 2753 - 2757
[2] Patent: US2007/213278, 2007, A1. Location in patent: Page/Page column 29; Sheet 9
[3] Journal of Polymer Science, Part A: Polymer Chemistry, 2013, vol. 51, # 20, p. 4309 - 4316
[4] Journal of Organic Chemistry, 1998, vol. 63, # 8, p. 2434 - 2441
[5] Chemistry - A European Journal, 2015, vol. 21, # 5, p. 1873 - 1877
Spectrum DetailBack Directory
[Spectrum Detail]

5-HYDROXY-2-NITROBENZYL ALCOHOL(60463-12-9)1HNMR
5-HYDROXY-2-NITROBENZYL ALCOHOL(60463-12-9)FT-IR
5-HYDROXY-2-NITROBENZYL ALCOHOL(60463-12-9)IR
5-HYDROXY-2-NITROBENZYL ALCOHOL(60463-12-9)Raman
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