Allyl phenyl carbonate - CAS 16308-68-2

Catalog:	BB011936
Product Name:	Allyl phenyl carbonate
CAS:	16308-68-2
Synonyms:	phenyl prop-2-enyl carbonate

Technical Data

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Computed Properties

IUPAC Name:	phenyl prop-2-enyl carbonate
Description:	Allyl phenyl carbonate (CAS# 16308-68-2) is a useful research chemical, an acylating and allylating agent.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	C=CCOC(=O)OC1=CC=CC=C1
InChI:	InChI=1S/C10H10O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:	ORUWSEKEVGOAQR-UHFFFAOYSA-N
Boiling Point:	78 ℃ / 0.2 mmHg
Purity:	> 97.0 % (GC)
Density:	1.11 g/cm³
Appearance:	Colorless to almost colorless clear liquid
LogP:	2.38800
Refractive Index:	1.50

Publication Number	Title	Priority Date
CN-113471526-A	Multilayer structure composite electrolyte and solid-state lithium battery	20200330
CN-111234380-A	Environment-friendly automotive interior composite material and preparation method thereof	20200316
CN-111138596-A	Polymer electrolyte and lithium ion battery comprising same	20191223
WO-2021129583-A1	Polymer electrolyte, and lithium ion battery comprising same	20191223
CN-110982401-A	Wear-resistant powder coating and preparation method thereof	20191220

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7