Octahydro-2,4-methano-2H-indeno-(1,2-b:5,6-b')bis-oxiren

DICYCLOPENTADIENE DIOXIDE · BICYCLOPENTADIENE DIEPOXIDE · 2,4-Methano-2H-indeno1,2-b:5,6-bbisoxirene, octahydro- · ep207 · unox207 · unox207x · epoxide207 · unoxepoxide207

https://huagongshe.com/de/chemical/6673

Molekülstruktur von Octahydro-2,4-methano-2H-indeno-(1,2-b:5,6-b')bis-oxiren

Identifikatoren & physikalische Daten

CAS No.	81-21-0
Summenformel	C10H12O2
Durchschnittliche Molmasse	164,2 g/mol
Monoisotopische Masse	164,08372962 g/mol
SMILES	C1C2OC2C2C1C1CC2C2OC12
InChIKey	BQQUFAMSJAKLNB-UHFFFAOYSA-N
PubChem CID	6673
ChEMBL	CHEMBL3184982
EC No.	201-334-1
DTXSID	DTXSID4020452
Lokaler Name	Octahydro-2,4-methano-2H-indeno-(1,2-b:5,6-b')bis-oxiren

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	25,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	277
Polymers	Plastics & Rubber -> Epoxides
Geruch	MILD TERPENE LIKE ODOR MAY BE MASKED BY MORE POWERFUL & DISTINCTIVE HYDROCARBON ODOR OF DICYCLOPENTADIENE.
Dichte	1.331 @ 25 °C1,331 g/cm3
Color/Form	WHITE CRYSTALLINE POWDER
Löslichkeit	SOL IN BENZENE1.4% IN WATER18.6% IN METHANOL44.7% IN ACETONE18.7% IN ETHERSoluble in water.
Schmelzpunkt	180-184 °C185-189 °C(lit.)
Dampfdichte	4.77 @ 25 °C (AIR= 1)
Physical Description	White solid[Hawley] Cream to pale brown solid[MSDSonline]
Other Experimental Properties	SUBLIMES @ 120-135 °C @ 10 MM HG
Siedepunkt	120°C 10mm
Brechungsindex	1.5460 (estimate)
Flammpunkt	120°C/10mm subl.
Lagerbedingungen	2-8°C
Aggregatzustand	Crystals or Crystalline Powder
Farbe	White to yellow-beige
BRN	112743
InChI	InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
InChIKey	BQQUFAMSJAKLNB-UHFFFAOYSA-N
SMILES	O1C2CC3C(C12)C1CC3C2C1O2
CAS Datenbank	81-21-0(CAS DataBase Reference)
EPA chemische Informationen	2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro- (81-21-0)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Gefahrenübersicht	Mild irritant on rabbit skinMethemoglobinemia, CNS effects, and proteinuria reported in inhalation studies of rats[RTECS] Emergency treatment: irritants[HSDB] An eye irritant[MSDSonline]
TSCA-Anforderungen	Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Human Toxicity Excerpts	No cases of dermatitis or sensitization have been reported /in man/.
Non-Human Toxicity Excerpts	CMPD IS MODERATELY TOXIC FOLLOWING ORAL OR IP ENTRY INTO BODY & PRACTICALLY NONTOXIC ON PERCUTANEOUS ABSORPTION. ... THE LETHAL RANGE WHEN GIVEN ORALLY TO RATS AS 50 TO 140 MG/KG, AND 11 TO 53 MG/KG INTRAPERITONEALLY. ... RABBITS TOLERATED 1 G/KG PERCUTANEOUSLY WITHOUT EFFECT. IN INHALATION EXPERIMENTS A DOSE OF 1 G/CU M FOR 1 HR WAS MODERATELY TOXIC, AND 10 G/CU M FOR 1 HR WAS LETHAL TO 5 OF 6 TEST ANIMALS. SATURATED VAPORS WERE NONLETHAL TO RATS IN 8 HR EXPOSURE. ... MILDLY IRRITATING BUT NO CORNEAL INJURY IN RABBITS WITH TEST QUANT OF 0.05 G. 40% SOLN WAS LEAST CONCN TO CAUSE BARELY DETECTABLE INJURY. ... SKIN IRRITATION. UNDIL MATERIAL CAUSED REDNESS OF SHORT DURATION.

Anwendungen & Verwendung

Verwenden

Dicyclopentadiene diepoxide acts as an intermediate for epoxy resins, plasticizers and protective coatings. It finds application as a rubber additive and adhesives, which is used at high temperature. Further, it is used in the preparation of endo-3-hydroxy-exo-9-oxa-exo-tetracyclo[5.3.1.02,6.08,10]undecane using lithium aluminum hydride as a reagent.