3-Phenoxypropionitrile - CAS 3055-86-5

Catalog:	BB020641
Product Name:	3-Phenoxypropionitrile
CAS:	3055-86-5
Synonyms:	3-phenoxypropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	3-phenoxypropanenitrile
Description:	3-Phenoxypropionitrile (CAS# 3055-86-5) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1=CC=C(C=C1)OCCC#N
InChI:	InChI=1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChI Key:	IXAUFLAHUXISCH-UHFFFAOYSA-N
Boiling Point:	120 °C / 2 mmHg
Density:	1.052 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00013822
LogP:	1.97908

Publication Number	Title	Priority Date
DE-102018201548-A1	Electrolytic composition for electrochemical cell for high temperature applications	20180201
WO-2019149812-A1	Electrolyte composition for electrochemical cell for high-temperature applications	20180201
CN-108084192-A	A kind of method that micro passage reaction carries out cyan-hydrolysis reaction	20171228
CN-108084192-B	Method for carrying out cyano hydrolysis reaction by using microchannel reactor	20171228
EP-3208863-A1	Charge transporting semi-conducting material and electronic device comprising it	20160222

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	3
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6