Ethyl cyclopropylideneacetate

HCID 11040705

Notes Reactions

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Basic information

CAS: 74592-36-2
Standard SMILES: CCOC(=O)C=C1CC1
InChIKey: CINXGNHRKLMYRK-UHFFFAOYSA-N
Molecular formula: C7H10O2
Average molar mass: 126.15 g/mol
Monoisotopic mass: 126.06807956

Overview

structure in first source

Names & identifiers

Preferred name: Ethyl cyclopropylideneacetate
IUPAC: ethyl 2-cyclopropylideneacetate
English name: ethyl 2-[(1E)-cyclopropylidene]acetate
Molecular formula: C7H10O2
Molecular weight: 126.15

Names & synonyms

ethyl cyclopropylideneacetateRefChem:594357Ethyl 2-cyclopropylideneacetate74592-36-2Cyclopropylidene-acetic acid ethyl esterETHYL 2-[(1E)-CYCLOPROPYLIDENE]ACETATEMFCD084606302-cyclopropylideneAcetic acid Ethyl esterAceticacid, 2-cyclopropylidene-, ethyl esterCyclopropylideneacetic acid ethyl esterEthyl2-cyclopropylideneacetateSCHEMBL2502784

Show more names

2-Cyclopropylidene-acetic acid ethyl esteN-{3-[(5-CHLORO-2-{[4-(4-METHYL-1-PIPERAZINYL)PHENYL]AMINO}-4-PYRIMIDINYL)OXY]PHENYL}ACRYLAMIDE

DTXSID10452879CINXGNHRKLMYRK-UHFFFAOYSA-NAKOS006291478SB38545AS-43917SY147547DB-074853CS-0340229

Database identifiers

CAS: 74592-36-2
PubChem CID: 11040705
DTXSID: DTXSID10452879
EC Number: 844-483-3
Nikkaji: J730.523K

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 141

Physicochemical properties

Boiling point: 78 · 78-82 °C(Press: 1 Torr)
Density: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C7H10O2/c1-2-9-7(8)5-6-3-4-6/h5H,2-4H2,1H3
InChIKey: CINXGNHRKLMYRK-UHFFFAOYSA-N
SMILES: C(OCC)(=O)/C=C1/CC/1
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H225-H315-H319-H335
Precautionary statements: P210-P261-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 2-cyclopropylideneacetate is used as a reactant in the regio- and stereoselective palladium- and platinum-catalyzed silaboration of methylenecyclopropanes with dioxaborolane.