4-Fluoro-2-nitrophenyl isocyanate - CAS 190774-51-7

Catalog:	BB014745
Product Name:	4-Fluoro-2-nitrophenyl isocyanate
CAS:	190774-51-7
Synonyms:	4-fluoro-1-isocyanato-2-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-1-isocyanato-2-nitrobenzene
Description:	4-Fluoro-2-nitrophenyl isocyanate (CAS# 190774-51-7 ) is a useful research chemical.
Molecular Weight:	182.11
Molecular Formula:	C7H3FN2O3
Canonical SMILES:	C1=CC(=C(C=C1F)[N+](=O)[O-])N=C=O
InChI:	InChI=1S/C7H3FN2O3/c8-5-1-2-6(9-4-11)7(3-5)10(12)13/h1-3H
InChI Key:	CPPNERLQTDSECZ-UHFFFAOYSA-N
Boiling Point:	78 ℃ (0.3 mmHg)
Melting Point:	50-55 ℃
Purity:	95 %
Density:	1.43 g/cm³
MDL:	MFCD00673051
LogP:	2.22440

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
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
US-2021238341-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.01277012
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.01277012
Rotatable Bond Count:	1
Topological Polar Surface Area:	75.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7