Phenyl formate - CAS 1864-94-4

Catalog:	BB014327
Product Name:	Phenyl formate
CAS:	1864-94-4
Synonyms:	phenyl formate

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Computed Properties

IUPAC Name:	phenyl formate
Description:	Phenyl formate (CAS# 1864-94-4 ) is a useful research chemical.
Molecular Weight:	122.12
Molecular Formula:	C7H6O2
Canonical SMILES:	C1=CC=C(C=C1)OC=O
InChI:	InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H
InChI Key:	GEOWCLRLLWTHDN-UHFFFAOYSA-N
Boiling Point:	165.2 °C at 760 mmHg
Density:	1.120 g/mL at 20 °C(lit.)
MDL:	MFCD00014126
LogP:	1.85770

Publication Number	Title	Priority Date
US-2021188800-A1	Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same	20191220
WO-2021122945-A1	Powdery, musky odorant macrocycles	20191220
WO-2021123018-A1	Soap composition	20191220
WO-2021123144-A1	Pro-perfume compositions	20191220
WO-2021124043-A1	Adhesive article comprising polymer and polymerizable cyclic olefins, adhesive compositions and methods	20191220

PMID	Publication Date	Title	Journal
22642678	20120615	Palladium-catalyzed carbonylation of aryl, alkenyl, and allyl halides with phenyl formate	Organic letters
22412532	20120301	9-(3-Fluoro-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate monohydrate	Acta crystallographica. Section E, Structure reports online
22211082	20120101	Improved synthesis strategy for peptide nucleic acids (PNA) appropriate for cell-specific fluorescence imaging	International journal of medical sciences
22199724	20111201	9-(2,5-Dimethyl-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate	Acta crystallographica. Section E, Structure reports online
21989535	20111026	Formate dehydrogenase--a biocatalyst with novel applications in organic chemistry	Organic & biomolecular chemistry

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.036779430
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.036779430
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3