ChemicalBook--->CAS DataBase List--->39224-61-8

39224-61-8

39224-61-8 Structure

39224-61-8 Structure
IdentificationBack Directory
[Name]

2-(HYDROXYMETHYL)-4-NITROBENZENOL
[CAS]

39224-61-8
[Synonyms]

RARECHEM AL BD 0192
5-Nitrosalicyl Alcohol
2-(hydroxyMethyl)-4-nitrophenol
2-HYDROXY-5-NITROBENZYL ALCOHOL
2-(HYDROXYMETHYL)-4-NITROBENZENOL
2-Hydroxy-5-nitrobenzyl alcohol 98%
Benzenemethanol, 2-hydroxy-5-nitro-
[Molecular Formula]

C7H7NO4
[MDL Number]

MFCD01321361
[MOL File]

39224-61-8.mol
[Molecular Weight]

169.13
Chemical PropertiesBack Directory
[Melting point ]

123-127 °C(lit.)
[Boiling point ]

409.7±35.0 °C(Predicted)
[density ]

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

RT, stored under nitrogen
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

7.01±0.22(Predicted)
[color ]

White to Light yellow
[InChI]

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

JEIYIXDNZKATLC-UHFFFAOYSA-N
[SMILES]

OCc1cc(ccc1O)[N+]([O-])=O
[CAS DataBase Reference]

39224-61-8
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2908990000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Hydroxy-5-nitrobenzyl alcohol (HNB) can be synthesized from dimethyl(2-hydroxyl-5-nitrobenzyl)sulfonium bromide. Its crystal structure has been analyzed. The interaction of HNB with glutathione S-transferases (GSTs) at tryptophan residues has been investigated.
[General Description]

2-Hydroxy-5-nitrobenzyl alcohol (HNB) can be synthesized from dimethyl(2-hydroxyl-5-nitrobenzyl)sulfonium bromide. Its crystal structure has been analyzed. The interaction of HNB with glutathione S-transferases (GSTs) at tryptophan residues has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(HYDROXYMETHYL)-4-NITROBENZENOL(39224-61-8)1HNMR
2-(HYDROXYMETHYL)-4-NITROBENZENOL(39224-61-8)IR
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