4-Hydroxy-3-Nitrobenzyl Alcohol

CAT: 0013-GTR19164915-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0013-GTR19164915-01Size:1 ml x 10 mM (in DMSO)

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Description

4-Hydroxy-3-nitrobenzyl alcohol, also known as 4- (hydroxymethyl) -2-nitrophenol, is a small molecule natural product isolated from the marine bryozoan Phidolopora pacifica . It serves as a useful chemical building block in marine natural product research and has applications in chemical biology and in vitro assay development.

CAS Number

41833-13-0

Product Name Alternative

4-Hydroxy-3-Nitrobenzyl Alcohol, 4- (Hydroxymethyl) -2-nitrophenol, 3-nitro-4-hydroxybenzyl alcohol

Purity

99.62% (May vary between batches)

Solubility

DMSO:55 mg/mL (325.19 mM)

Smiles

N (=O) (=O) C1=CC (CO) =CC=C1O

Molecular Formula

C7H7NO4

Molecular Weight

169.13

Storage Conditions

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

4-Hydroxy-3-nitrobenzyl alcohol

CAS Number	41833-13-0
PubChem CID	142550
IUPAC Name	4-(hydroxymethyl)-2-nitrophenol
Molecular Formula	C7H7NO4
Molecular Weight	169.13
XLogP	1.1
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1=CC(=C(C=C1CO)[N+](=O)[O-])O

InChI

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

InChIKey

IMLGJYRKLCMJPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41833-13-0

CID: 142550

Formula: C7H7NO4

MW: 169.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	169.13
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.03750770
Monoisotopic Mass	169.03750770
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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M29533-01	4-Hydroxy-3-Nitrobenzyl Alcohol
sc-265721	2-hydroxy-4-nitrobenzyl alcohol
FH67566-01	3-Hydroxy-2-nitrobenzyl alcohol
285038-01	4-Nitrobenzyl alcohol
PC500440	2-Fluoro-4-hydroxy-5-nitrobenzyl alcohol
KCA46312	5-Hydroxy-2-nitrobenzyl alcohol
270224-01	4-Chloro-3-nitrobenzyl alcohol
abx185144-01	3-Methoxy-4-Nitrobenzyl Alcohol
PC4403-01	3-Fluoro-4-nitrobenzyl alcohol
OR401022-01	3-Chloro-4-nitrobenzyl alcohol

4-Hydroxy-3-Nitrobenzyl Alcohol

Chemical Information

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