Skip to Content
Merck
CN
All Photos(1)

Key Documents

View All Documentation

417440

Sigma-Aldrich

2-Fluoro-4-hydroxybenzonitrile

99%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
FC6H3(OH)CN
CAS Number:
82380-18-5
Molecular Weight:
137.11
Beilstein:
4741066
MDL number:
MFCD00192177
UNSPSC Code:
12352100
PubChem Substance ID:
24866150
EC Index Number:
422-810-7

Assay

99%

mp

123-125 °C (lit.)

SMILES string

Oc1ccc(C#N)c(F)c1

InChI

1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

InChI key

REIVHYDACHXPNH-UHFFFAOYSA-N

General description

2-Fluoro-4-hydroxybenzonitrile is a planar molecule. Its mol­ecules are arranged in linear chains via weak intermolecular O-HN hydrogen bonds.

Application

2-Fluoro-4-hydroxybenzonitrile may be used in the synthesis of 4-cyano-3-fluorophenyl 4-(hexadecyloxy) benzoate.

Signal Word

Danger

Hazard Statements

H302,H318,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
1404961V
1393578V
1404961
1393578
05302PC

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

M K Usha et al.
Acta crystallographica. Section E, Structure reports online, 70(Pt 3), o244-o244 (2014-04-26)
In the title compound, C30H40FNO3, the dihedral angle between the benzene rings is 57.76 (7)°. The alkyl chain adopts an all-trans conformation. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers.
2-Fluoro-4-hydroxybenzonitrile.
Song X-Y, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(11), 1919-1920 (2004)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service