5-Chloro-2-methoxyphenyl Isocyanate - CAS 55440-54-5

Catalog:	BB029044
Product Name:	5-Chloro-2-methoxyphenyl Isocyanate
CAS:	55440-54-5
Synonyms:	4-chloro-2-isocyanato-1-methoxybenzene; 4-chloro-2-isocyanato-1-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-isocyanato-1-methoxybenzene
Description:	5-Chloro-2-methoxyphenyl Isocyanate (CAS# 55440-54-5) is a useful research chemical.
Molecular Weight:	183.59
Molecular Formula:	C8H6ClNO2
Canonical SMILES:	COC1=C(C=C(C=C1)Cl)N=C=O
InChI:	InChI=1S/C8H6ClNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3
InChI Key:	CDRZZFCLBUGMMB-UHFFFAOYSA-N
Boiling Point:	271.7 °C at 760 mmHg
Density:	1.22 g/cm³
Appearance:	Solid
MDL:	MFCD00013860
LogP:	2.31590

Publication Number	Title	Priority Date
WO-2021069705-A1	Isoindolinone compounds	20191009
EP-3298194-A2	Methods for treating paperboards and paper media, and associated paperboards and paper media	20150518
KR-20180008604-A	METHOD FOR PROCESSING PAPERBOARD AND PAPER MEDIA, AND METHOD FOR PROCESSING PAPERBOARD AND PAPER MEDIA	20150518
US-10487453-B2	Methods for treating paperboards and paper media, and associated treated paperboards and paper media	20150518
US-2018298557-A1	Methods for treating paperboards and paper media, and associated treated paperboards and paper media	20150518

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0087061
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.0087061
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3