2-(3-Benzofuranyl)acetonitrile - CAS 52407-43-9

Catalog:	BB027816
Product Name:	2-(3-Benzofuranyl)acetonitrile
CAS:	52407-43-9
Synonyms:	2-(3-benzofuranyl)acetonitrile; 2-(1-benzofuran-3-yl)acetonitrile

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Computed Properties

IUPAC Name:	2-(1-benzofuran-3-yl)acetonitrile
Description:	2-(3-Benzofuranyl)acetonitrile (CAS# 52407-43-9) is a useful research chemical.
Molecular Weight:	157.17
Molecular Formula:	C10H7NO
Canonical SMILES:	C1=CC=C2C(=C1)C(=CO2)CC#N
InChI:	InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChI Key:	BJAJKVZABJZXDC-UHFFFAOYSA-N
Boiling Point:	120 °C (0.5 mmHg)
Density:	1.185 g/cm³
Appearance:	Solid
MDL:	MFCD02183555
LogP:	2.49888

Publication Number	Title	Priority Date
WO-2019133633-A1	Composition including multiple terminally functionalized polymers	20171230
EP-3732210-A1	Composition including multiple terminally functionalized polymers	20171230
US-2020369791-A1	Composition Including Multiple Terminally Functionalized Polymers	20171230
EP-3458488-A1	Process for producing functionalized polymers	20160519
JP-2019518829-A	Process for producing functionalized polymer	20160519

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.052763847
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2