4-Fluorophenethyl isocyanate - CAS 65535-53-7

Catalog:	BB032762
Product Name:	4-Fluorophenethyl isocyanate
CAS:	65535-53-7
Synonyms:	1-fluoro-4-(2-isocyanatoethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-4-(2-isocyanatoethyl)benzene
Description:	4-Fluorophenethyl isocyanate (CAS# 65535-53-7) is a useful research chemical.
Molecular Weight:	165.16
Molecular Formula:	C9H8FNO
Canonical SMILES:	C1=CC(=CC=C1CCN=C=O)F
InChI:	InChI=1S/C9H8FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
InChI Key:	FDCHHLBMDMJXGM-UHFFFAOYSA-N
Boiling Point:	232-233 °C (lit.)
Density:	1.1342 g/mL at 25°C(lit.)
MDL:	MFCD04039913
LogP:	1.70400

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
KR-20200124630-A	chromane derivatives, and pharmaceutical composition for preventing or treating neovascular eye disease or cancer containing the same as an active ingredient	20190424
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

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Related Functional Groups

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[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]
2-Amino-6-fluoropyridine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1489-53-8]
1,2,3-Trifluorobenzene
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[2252403-82-8]
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.058992041
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.058992041
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1