2-Fluorophenyl isocyanate - CAS 16744-98-2

Catalog:	BB012396
Product Name:	2-Fluorophenyl isocyanate
CAS:	16744-98-2
Synonyms:	1-fluoro-2-isocyanatobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-2-isocyanatobenzene
Description:	2-Fluorophenyl isocyanate (CAS# 16744-98-2) is a reagent used in the synthesis of wtRET and V804MRET inhibitors which may be used in the treatment of several neoplastic diseases and cancer treatments.
Molecular Weight:	137.11
Molecular Formula:	C7H4FNO
Canonical SMILES:	C1=CC=C(C(=C1)N=C=O)F
InChI:	InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:	VZNCSZQPNIEEMN-UHFFFAOYSA-N
Boiling Point:	56-58 ℃
Density:	1.222 g/cm³
Appearance:	Clear colorless to slightly brown liquid
MDL:	MFCD00001996
LogP:	1.79300

Publication Number	Title	Priority Date
CN-111732538-A	Tetrahydroquinolinone derivative compounds and application thereof	20200724
CN-111454661-A	Wear-resistant self-lubricating anti-icing, anti-fogging coating and preparation method thereof	20200618
CN-112851635-A	Cyclic sulfones compound and preparation method, application and pharmaceutical composition thereof	20191128
WO-2021104506-A1	Cyclic sulfone compound and preparation method therefor, pharmaceutical composition thereof and use thereof	20191128
CN-110759900-A	Preparation method and application of thiophene compound	20191025

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Nitrogen Compounds

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.027691913
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8