3-Aminobenzofuran-2-carbonitrile - CAS 62208-67-7

Catalog:	BB031458
Product Name:	3-Aminobenzofuran-2-carbonitrile
CAS:	62208-67-7
Synonyms:	3-amino-2-benzofurancarbonitrile; 3-amino-1-benzofuran-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	3-amino-1-benzofuran-2-carbonitrile
Description:	3-Aminobenzofuran-2-carbonitrile (CAS# 62208-67-7 ) is a useful research chemical.
Molecular Weight:	158.16
Molecular Formula:	C9H6N2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(O2)C#N)N
InChI:	InChI=1S/C9H6N2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2
InChI Key:	KPLPXBCQZSGRGU-UHFFFAOYSA-N
Boiling Point:	347.3 °C at 760 mmHg
Density:	1.31 g/cm³
LogP:	2.46788

Publication Number	Title	Priority Date
US-2007213320-A1	4-substituted-1,5-dihydro-pyrido[3,2-b]indol-2-ones	20040517
US-7622582-B2	Derivatives of 1-phenyl-benzofuro[3,2]pyridin-2(1H)-one	20040517
US-4703053-A	Benzothiophenes and benzofurans and antiallergic use thereof	19851028
DK-169326-B1	Benzothiophenes and benzofurans with antiallergic activity, as well as pharmaceutical preparations containing these compounds	19841210
EP-0187487-A1	Benzothiophenes and benzofurans having antiallergic activity	19841210

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Related Functional Groups

Benzofuran/Benzothiophene

[20532-34-7]
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[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[34761-09-6]
Ethyl 3-aminobenzo[b]thiophene-2-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[1427556-50-0]
N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.048012819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	63
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2