Benzofuran-2-carbonitrile - CAS 41717-32-2

Catalog:	BB024940
Product Name:	Benzofuran-2-carbonitrile
CAS:	41717-32-2
Synonyms:	2-benzofurancarbonitrile; 1-benzofuran-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-benzofuran-2-carbonitrile
Description:	Benzofuran-2-carbonitrile (CAS# 41717-32-2) is used in the synthesis of imidazoline I1 and I2 selective ligands for the imidazoline and α-adrenergic receptors. Also used in the synthesis of antiparasitic and antifungal arylthiazolines.
Molecular Weight:	143.14
Molecular Formula:	C9H5NO
Canonical SMILES:	C1=CC=C2C(=C1)C=C(O2)C#N
InChI:	InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChI Key:	ZQGAXHXHVKVERC-UHFFFAOYSA-N
Boiling Point:	260.846 °C at 760 mmHg
Density:	1.228 g/cm³
MDL:	MFCD01659779
LogP:	2.30448

Publication Number	Title	Priority Date
CN-113150003-A	Organic light-emitting compound and organic electroluminescent device	20200122
CN-112574054-A	Efficient nitriding reagent and application thereof	20190930
WO-2019133633-A1	Composition including multiple terminally functionalized polymers	20171230
EP-3732210-A1	Composition including multiple terminally functionalized polymers	20171230
JP-2021509429-A	Compositions Containing Multiple Terminal Functionalized Polymers	20171230

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.037113783
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6