4-Fluorophenyl isocyanate - CAS 1195-45-5

Catalog:	BB004522
Product Name:	4-Fluorophenyl isocyanate
CAS:	1195-45-5
Synonyms:	1-fluoro-4-isocyanatobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-fluoro-4-isocyanatobenzene
Description:	4-Fluorophenyl isocyanate acts as a reagent in the preparation of tris-ureas as transmembrane anion transporters, solid phase combinatorial synthesis of peptides as integrin inhibitors.
Molecular Weight:	137.11
Molecular Formula:	C7H4FNO
Canonical SMILES:	C1=CC(=CC=C1N=C=O)F
InChI:	InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key:	DSVGFKBFFICWLZ-UHFFFAOYSA-N
Boiling Point:	68 °C
Density:	1.206 g/cm³
Appearance:	Clear light yellow to amber liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD00002023
LogP:	1.79300

Publication Number	Title	Priority Date
CN-113200932-A	Synthetic method of oxazolidinone	20210507
CN-112795299-A	Antireflection coating liquid, preparation method thereof and solar cell module	20201230
CN-112094218-A	Synthetic method of pyrrole derivative	20200904
CN-111333899-A	Preparation method of high-compression-strength cellulose aerogel	20200428
WO-2021198709-A1	Naphthyridine compounds as inhibitors of mer tyrosine kinase and axl tyrosine kinase	20200403

PMID	Publication Date	Title	Journal
21581694	20081210	2,2'-Bis(4-fluoro-anilino)-3,3'-(3,6-dioxa-octane-1,8-di-yl)diquinazolin-4(3H)-one	Acta crystallographica. Section E, Structure reports online
21202333	20080416	5-Butyl-amino-6-(4-fluoro-phen-yl)-7-oxo-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	146
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