1,2:5,6-Diepoxyhexan

1,2:5,6-Diepoxyhexane

HCID 15903CAS 1888-89-7

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Grundinformationen

Standard-SMILES: C(CC1CO1)C1CO1
InChIKey: HTJFSXYVAKSPNF-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: 1,2:5,6-Diepoxyhexane
IUPAC: 2-[2-(oxiran-2-yl)ethyl]oxirane
Lokaler Name: 1,2:5,6-Diepoxyhexan
Englischer Name: 1,5-Hexadiene diepoxide
Summenformel: C6H10O2
Molmasse: 114.14

Namen und Synonyme

1888-89-71,2,5,6-Diepoxyhexane1,2:5,6-Diepoxyhexane28Q8VMP7TERefChem:411026217-564-01,5-Hexadiene diepoxide2-[2-(oxiran-2-yl)ethyl]oxirane1,5-Hexadienediepoxide1,2-Di(oxiran-2-yl)ethaneMFCD01723447Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-

Weitere Namen anzeigen

Hexadienediepoxide1,2:5,6-diepoxy-hexan1,2-Bisoxiranylethane2,2'-Ethylenebisoxirane1,2,5,6-Diepoxyhexane,97%2,2'-Ethylenebis(oxirane)

CCRIS 3751Hexane, 1,2:5,6-diepoxy-EINECS 217-564-0NSC 47548Oxirane, 2,2'-(1,2-ethanediyl)bis-1,2-Di(oxiran-2-yl)ethane; 1,5-Hexadiene diepoxide; NSC 475481,6-Diepoxyhexane1,5,6-Diepoxyhexane

Datenbank-Bezeichner

CAS: 1888-89-7
PubChem CID: 15903
DTXSID: DTXSID00940391
EC Number: 217-564-0
Nikkaji: J36.963B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 25,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 80

Physikochemische Eigenschaften

Siedepunkt: 62 °C · 62 °C (300 mmHg)
Dichte: 0.98 · 0.98
Brechungsindex: 1.439 · 1.439-1.441
Flammpunkt: 97 °C · 97 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 0.98 · 0.98
InChI: InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
InChIKey: HTJFSXYVAKSPNF-UHFFFAOYSA-N
SMILES: C1(OC1)CCC1OC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

ridadr: 1993
hs_code: 29109000
RTECS-Nr.: MO1575000
risk_code: 46-45-23/24/25
hazard_code: T
safety_code: 53-45-36/37

Chemie und Industrie

Anwendungen

Verwenden1,2,5,6-Diepoxyhexane is an intermediate used to prepare C13-22 fragment of amphidinolide T2 via nickel-catalyzed reductive coupling of alkyne and terminal epoxide.