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Safety Information

C94009

Sigma-Aldrich

4-Cyanophenol

95%

Synonym(s):

4-Hydroxybenzonitrile

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About This Item

Linear Formula:
NCC6H4OH
CAS Number:
767-00-0
Molecular Weight:
119.12
Beilstein:
386130
EC Number:
212-175-2
MDL number:
MFCD00002312
UNSPSC Code:
12352100
PubChem Substance ID:
24893159
NACRES:
NA.22

Quality Level

200

Assay

95%

form

crystals

mp

110-113 °C (lit.)

SMILES string

Oc1ccc(cc1)C#N

InChI

1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H

InChI key

CVNOWLNNPYYEOH-UHFFFAOYSA-N

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Application

4-Cyanophenol is a precursor for the synthesis of a vasodilator, Levcromakalim. Bromination of 4-cyanophenol results in bromoxynil, a commercial herbicide. It can also be used as a component of deep eutectic solvent (DES) mixture.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

C94009-5G:4548173193182
C94009-VAR:
C94009-BULK:
C94009-100G:4548173193168
C94009-25G:4548173193175

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Certificates of Analysis (COA)

Lot/Batch Number
WXBD4975V
WXBD4414V
WXBD3137V
WXBC6047V
WXBC5344V

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Synthesis and antihypertensive activity of 4-(cyclic amido)-2H-1-benzopyrans.
Ashwood VA, et al.
Journal of Medicinal Chemistry, 29(11), 2194-2201 (1986)
Nitrogen-doped carbons prepared from eutectic mixtures as metal-free oxygen reduction catalysts.
Lopez-Salas N, et al.
Journal of Material Chemistry A, 4(2), 478-488 (2016)
A L Stinchcomb et al.
Pharmaceutical research, 16(8), 1288-1293 (1999-09-01)
Simple, safe and quick in vivo methods for estimating chemical uptake into the stratum corneum (SC) from volatile and non-volatile solvents are invaluable to health risk assessors. This study compares the human in vivo SC uptake of a model compound
J E Harrison et al.
Pharmaceutical research, 13(4), 542-546 (1996-04-01)
The purpose of this work was to analyse the mechanism of the enhancement of percutaneous penetration demonstrated by the known enhancers Azone and Transcutol. Enhancer induced changes in the diffusivity and solubility of a model permeant (4-cyanophenol) in human stratum
D B Harper
The International journal of biochemistry, 17(6), 677-683 (1985-01-01)
The purification and properties of an enzyme from Nocardia sp. which catalyses the conversion of p-hydroxybenzonitrile to p-hydroxybenzoic acid and ammonia without intermediate formation of the amide is described. The enzyme displayed a broad pH optimum between 7.0 and 9.5
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