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4-Hydroxybenzonitrile

Catalog Number
ACM767000-1
Product Name
4-Hydroxybenzonitrile
Structure
CAS
767-00-0
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-Cyanophenol
IUPAC Name
4-hydroxybenzonitrile
Molecular Weight
119.12
Molecular Formula
C7H5NO
SMILES
C1=CC(=CC=C1C#N)O
InChI
InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey
CVNOWLNNPYYEOH-UHFFFAOYSA-N
Boiling Point
146 ºC 2mmHg
Melting Point
110-113 ºC
Purity
99%+
Density
1.1871 g/ml
Appearance
Off-white to beige-gray crystalline powder
Storage
Inert atmosphere. Room temperature.
EC Number
212-175-2
NSC Number
400524
Status
0
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Complexity
127
Formal Charge
0
Exact Mass
119.0371
Monoisotopic Mass
119.0371
Topological Polar Surface Area
44 Ų
LogP
1.6 (LogP)
XLogP3
1.6
MeSH Entry Terms
4-cyanophenol;4-hydroxybenzonitrile;4-hydroxycyanobenzene
UNII
1S13529YJU
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Heavy Atom Count
9
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Rotatable Bond Count
0
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