CAS 693-86-7 Ethenylcyclopropane (HCID 136498)

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Basic information

CAS: 693-86-7
Standard SMILES: C=CC1CC1
InChIKey: YIWFBNMYFYINAD-UHFFFAOYSA-N
Molecular formula: C5H8
Average molar mass: 68.12 g/mol
Monoisotopic mass: 68.06260026

Names & identifiers

Preferred name: Ethenylcyclopropane
IUPAC: ethenylcyclopropane
English name: VINYLCYCLOPROPANE
Molecular formula: C5H8
Molecular weight: 68.12

Names & synonyms

Ethenylcyclopropane693-86-7DTXSID60219358RefChem:592681DTXCID80141849890-301-0VinylcyclopropaneCyclopropane,ethenyl-MFCD00169073Cyclopropylethylenecyclopropane, ethenyl-ethenylclopropane

Show more names

NISTC693867CyclopropyletheneVINYLCYCLOPROPANE ISO 9001：2015 REACH

2-vinylcyclopropaneSCHEMBL94031SCHEMBL156933SCHEMBL177556SCHEMBL397617SCHEMBL2788856AAA69386AKOS006273889

Database identifiers

CAS: 693-86-7
PubChem CID: 136498
DTXSID: DTXSID60219358
EC Number: 890-301-0
Nikkaji: J150.177A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 42

Experimental & physicochemical properties

Kovats Retention Index · 2 items

536

515.6

Physicochemical properties

Melting point: -109.81 °C · -109.81 °C
Boiling point: 51.56 °C · 51.56°C (rough estimate)
Density: 0.9 · 0.9000 (rough estimate)
refractive index: 1.579 · 1.5790 (estimate)
storage temp.: Amber Vial, Refrigerator, Under inert atmosphere
solubility: Chloroform (Sparingly)
form: Oil
color: Colourless
Stability: Highly Volatile
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 319 · H319-H225-H315-H335
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS02
Hazard statements: H319-H225-H315-H335
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesVinylcyclopropane is a useful synthetic intermediate. Vinylcyclopropane and its derivatives can participate in a variety of transition-metal-catalyzed multicomponent cycloadditions to produce five- to eight-membered carbocycles.