4-Fluoro-3-methylphenyl isocyanate - CAS 351003-65-1

Catalog:	BB022466
Product Name:	4-Fluoro-3-methylphenyl isocyanate
CAS:	351003-65-1
Synonyms:	1-fluoro-4-isocyanato-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-4-isocyanato-2-methylbenzene
Description:	4-Fluoro-3-methylphenyl isocyanate (CAS# 351003-65-1) is a useful research chemical.
Molecular Weight:	151.14
Molecular Formula:	C8H6FNO
Canonical SMILES:	CC1=C(C=CC(=C1)N=C=O)F
InChI:	InChI=1S/C8H6FNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChI Key:	QLOBMZKAOAACPA-UHFFFAOYSA-N
Boiling Point:	186 °C (lit.)
Density:	1.172 g/cm³
MDL:	MFCD03427210
LogP:	2.10140

Publication Number	Title	Priority Date
WO-2021127356-A1	Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same	20191220
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
EP-3893645-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212

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Related Functional Groups

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Nitrogen Compounds

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
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[1243387-55-4]
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[618-40-6]
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[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.043341977
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.043341977
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2