Phenyl isocyanatoformate - CAS 5843-43-6

Name: Phenyl isocyanatoformate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030040
Product Name:	Phenyl isocyanatoformate
CAS:	5843-43-6
Synonyms:	phenyl N-(oxomethylidene)carbamate

Technical Data

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Computed Properties

IUPAC Name:	phenyl N-(oxomethylidene)carbamate
Description:	Phenyl isocyanatoformate (CAS# 5843-43-6 ) is a useful research chemical.
Molecular Weight:	163.13
Molecular Formula:	C8H5NO3
Canonical SMILES:	C1=CC=C(C=C1)OC(=O)N=C=O
InChI:	InChI=1S/C8H5NO3/c10-6-9-8(11)12-7-4-2-1-3-5-7/h1-5H
InChI Key:	FSZKLYCUEQGCKW-UHFFFAOYSA-N
Boiling Point:	100 °C / 15 mmHg (lit.)
Density:	1.233 g/cm³
Appearance:	Liquid
MDL:	MFCD00037080
LogP:	1.52120

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

Nitrogen Compounds

[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H302 (100%): 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

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
EP-3774961-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
US-2021238341-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
US-2020332028-A1	Charged surface reversed phase chromatographic materials method for analysis of glycans modified with amphipathic, strongly basic moieties	20160424

PMID	Publication Date	Title	Journal
11529759	20010906	Solid-phase synthesis of 1,7-disubstituted-1,3,5-triazepane-2,4-diones	Organic letters
11463249	20010727	Fluorescent charge-neutral analogue of xanthosine: synthesis of a 2'-deoxyribonucleoside bearing a 5-aza-7-deazaxanthine base	The Journal of organic chemistry
7069727	19820401	Synthesis and in vitro antimicrobial activity of 5-substituted 2H-1,3,5-thiadiazine-2,4(3H)-diones	Journal of medicinal chemistry

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.026943022
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.026943022
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9