5-Isocyanato-2,3-dihydrobenzofuran - CAS 215162-92-8

Catalog:	BB016932
Product Name:	5-Isocyanato-2,3-dihydrobenzofuran
CAS:	215162-92-8
Synonyms:	5-isocyanato-2,3-dihydrobenzofuran; 5-isocyanato-2,3-dihydro-1-benzofuran

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-isocyanato-2,3-dihydro-1-benzofuran
Description:	5-Isocyanato-2,3-dihydrobenzofuran (CAS# 215162-92-8) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1COC2=C1C=C(C=C2)N=C=O
InChI:	InChI=1S/C9H7NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-2,5H,3-4H2
InChI Key:	WAIKTAFMGLVRJC-UHFFFAOYSA-N
Boiling Point:	130-132 °C / 3 mmHg
Density:	1.25 g/cm³
Appearance:	Solid
LogP:	1.58880

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
CN-112020525-A	Adducts of amine catalysts for making isocyanurate polymers	20180413
EP-3774961-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

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Related Functional Groups

Benzofuran/Benzothiophene

[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1934854-71-3]
N-Boc-7-aminobenzofuran
[2649788-75-8]
tert-butyl N-(4-bromo-3-cyano-benzothiophen-2-yl)carbamate
[16587-47-6]
6-Methylbenzo[b]thiophene
[351980-88-6]
Methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[350997-36-3]
Ethyl 2-amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement:	P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7