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527750

Sigma-Aldrich

4-(Hydroxymethyl)benzonitrile

95%

Synonym(s):

4-Cyanobenzyl alcohol

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About This Item

Linear Formula:
HOCH2C6H4CN
CAS Number:
874-89-5
Molecular Weight:
133.15
Beilstein:
2206193
MDL number:
MFCD00870633
UNSPSC Code:
12352100
PubChem Substance ID:
24874643
NACRES:
NA.22

Assay

95%

mp

39-43 °C (lit.)

functional group

hydroxyl
nitrile

SMILES string

OCc1ccc(cc1)C#N

InChI

1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2

InChI key

XAASLEJRGFPHEV-UHFFFAOYSA-N

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General description

4-(Hydroxymethyl)benzonitrile can be synthesized via hydrosilylation reaction in the presence of Fe complex Bu4N[Fe(CO)3(NO)] [catalyst]. It can also be prepared from 4-(aminomethyl) benzyl alcohol.

Application

4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

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

527750-BULK:
527750-10G:4548173166315
527750-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
1444898V
1444900
1444898
1433823
1434972

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Bu4N [Fe (CO)3(NO)]-Catalyzed Hydrosilylation of Aldehydes and Ketones.
Dieskau AP, et al.
European Journal of Organic Chemistry, 27, 5291-5296 (2011)
Bergstra?er U, et al.
Science of Synthesis: Houben-Weyl Methods of Molecular Transformations, 219-219 (2014)
Vinyl monomers bearing chromophore moieties and their polymers. VIII. synthesis and fluorescence behavior of a vinyloxy monomer having an electron-accepting chromophore moiety, p-((vinyloxy) methyl) benzonitrile, and its polymers.
Du FS, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 37(2), 179-187 (1999)

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