417440
2-Fluoro-4-hydroxybenzonitrile
99%
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About This Item
Linear Formula:
FC6H3(OH)CN
CAS Number:
Molecular Weight:
137.11
UNSPSC Code:
12352100
PubChem Substance ID:
EC Index Number:
422-810-7
Beilstein/REAXYS Number:
4741066
MDL number:
Assay:
99%
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
assay
99%
mp
123-125 °C (lit.)
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1
Storage Class
11 - Combustible Solids
wgk
WGK 2
ppe
dust mask type N95 (US), Eyeshields, Gloves
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2-Fluoro-4-hydroxybenzonitrile.
Song X-Y, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(11), 1919-1920 (2004)
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.
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