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156167

3-Hydroxy-4-nitrobenzaldehyde

97%

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About This Item

Linear Formula:
HOC6H3(NO2)CHO
CAS Number:
704-13-2
Molecular Weight:
167.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849596
EC Number:
211-879-7
Beilstein/REAXYS Number:
2556882
MDL number:
MFCD00007109
Assay:
97%
Form:
solid
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Quality Segment

100

assay

97%

form

solid

mp

127-131 °C (lit.)

functional group

aldehyde, nitro

SMILES string

[H]C(=O)c1ccc(c(O)c1)[N+]([O-])=O

InChI

1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H

InChI key

AUBBVPIQUDFRQI-UHFFFAOYSA-N

Application

3-Hydroxy-4-nitrobenzaldehyde is the aldehyde component in a study of an enantioselective thioester aldol reaction. This reaction has been catalyzed by copper(II) triflate in the presence of a chiral bisoxazoline ligand. The product has been used as a chromophoric substrate for probing the catalytic mechanism of horse liver alcohol dehydrogenase.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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