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538396

3,4-Dihydroxybenzonitrile

Name: 3,4-Dihydroxybenzonitrile
Brand: ALDRICH

97%

Synonym(s):

Protocatechuonitrile

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About This Item

Linear Formula:

(OH)₂C₆H₃CN

CAS Number:

17345-61-8

Molecular Weight:

135.12

NACRES:

NA.22

PubChem Substance ID:

24878326

UNSPSC Code:

12352100

EC Number:

241-367-9

MDL number:

MFCD00016436

Assay:

97%

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Properties

Quality Level

100

assay

97%

mp

155-159 °C (lit.)

functional group

nitrile

SMILES string

Oc1ccc(cc1O)C#N

InChI

1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H

InChI key

NUWHYWYSMAPBHK-UHFFFAOYSA-N

Description

General description

3,4-Dihydroxybenzonitrile can be prepared from 4-hydroxy-3-methoxybenzonitrile. It can also be synthesized by reacting 3,4-dimethoxybenzonitrile, lithium diisopropylamide (LDA) and 1,3-dimethyl-2-imidazolidinone (DMEU).

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

Regulatory Information

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Sodium Bis (trimethylsilyl) amide and Lithium Diisopropylamide in Deprotection of Alkyl Aryl Ethers: a-Effect of Silicon

Hwu JR, et al.

The Journal of Organic Chemistry, 62.12 , 4097-4104 (1997)

The synthetic technology of 3, 4-dihydroxybenzonitrile

WEI HW, et al.

Fine and Specialty Chemicals / Jing Xi Yu Zhuan Yong Hua Xue Pin, 9, 012-012 (2011)

Antitumor effects of biologic reducing agents related to 3,4-dihydroxybenzylamine: dihydroxybenzaldehyde, dihydroxybenzaldoxime, and dihydroxybenzonitrile.

M M Wick et al.

Journal of pharmaceutical sciences, 76(7), 513-515 (1987-07-01)

This report describes a structure-activity analysis of isomers of three classes of dihydroxybenzene derivatives, including dihydroxybenzaldoxime, dihydroxybenzaldehyde, and dihydroxybenzonitrile. These derivatives were examined for their effect on ribonucleotide reductase activity, macromolecular synthesis, cell growth, and in vivo antitumor activity against

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Global Trade Item Number

SKU	GTIN
538396-25G	04061832566368