Benzonitrile, 4-butoxy-


Chemical Name: Benzonitrile, 4-butoxy-
CAS Number: 5203-14-5
Product Number: AG003LTC(AGN-PC-0JMQ4E)
Synonyms:
MDL No:
Molecular Formula: C11H13NO
Molecular Weight: 175.2270

Identification/Properties


Properties
BP:
240-244 °C(lit.)
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.526(lit.)
Computed Properties
Molecular Weight:
175.231g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
175.1g/mol
Monoisotopic Mass:
175.1g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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