Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Dicyclopentadiene diepoxide

Related Products

Hot Products

Name

Dicyclopentadiene diepoxide

EINECS 201-334-1
CAS No. 81-21-0 Density 1.379 g/cm3
PSA 25.06000 LogP 0.80700
Solubility Soluble in water. Melting Point 185-189 °C
Formula C10H12O2 Boiling Point 326.3 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 134.4 °C
Transport Information UN 2811 6.1/PG 3 Appearance white to yellow-beige crystals
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 81-21-0 (Dicyclopentadiene diepoxide) Hazard Symbols HarmfulXn
Synonyms

4,7-Methanoindan,1,2:5,6-diepoxyhexahydro- (6CI,8CI);1,2:5,6-Diepoxyhexahydro-4,7-methanoindan;Bicyclopentadiene dioxide;DCPDDO;NSC 24262;NSC 30544;NSC 34460;NSC 54738;NSC56357;

Article Data 34

Dicyclopentadiene diepoxide Consensus Reports

Reported in EPA TSCA Inventory.

Dicyclopentadiene diepoxide Specification

The systematic name of Bicyclopentadiene dioxide is 1,2:5,6-Diepoxyhexahydro-4,7-methanoindan. With the CAS registry number 81-21-0 and EINECS 201-334-1, it is also named as 2,4-Methano-2H-bisoxireno(a,f)indene, octahydro-. The other registry numbers are 106342-07-8, 21090-47-1, 29475-56-7 and 4168-48-3. The classification code is Skin / Eye Irritant. It is white to yellow-beige crystals which is highly toxic and flammable. When heated to decomposition it emits acrid smoke and irritating fumes. So the storage environment should be ventilate, low-temperature and dry. Additionally, keep this chemical separate from raw materials of food.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.06 Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 41.53 cm3; (11)Molar Volume: 119 cm3; (12)Polarizability: 16.46×10-24 cm3; (13)Surface Tension: 55.2 dyne/cm; (14)Enthalpy of Vaporization: 54.59 kJ/mol; (15)Vapour Pressure: 0.000414 mmHg at 25°C; (16)Exact Mass: 164.08373; (17)MonoIsotopic Mass: 164.08373; (18)Topological Polar Surface Area: 25.1; (19)Heavy Atom Count: 12; (20)Complexity: 277.

Preparation of Bicyclopentadiene dioxide: It can be obtained by 3a,4,7,7a-tetrahydro-1H-4,7-methano-indene. This reaction needs reagent tert-butyl hydroperoxide, catalytic agent (C5H5)2MoCl2 and solvent benzene at temperature of 100 °C. The reaction time is 4.0 hours. The yield is 98.4%.

Uses of Bicyclopentadiene dioxide: It can be used to produce endo-3-hydroxy-exo-9-oxa-exo-tetracyclo[5.3.1.02,6.08,10]undecane. This reaction needs reagent LiAlH4 and solvent diethyl ether at temperature of 35-40 °C. The reaction time is 8 hours. The yield is 66%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also very toxic by inhalation. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. Smiles:C1[C@@H]2[C@@H]3[C@@H]([C@@H]1[C@@H]1[C@@H]2O1)C[C@@H]1[C@@H]3O1
2. InChI:InChI=1/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 10gm/m3/1H (10000mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 778, 1986.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04159,
rabbit LD50 skin 8gm/kg (8000mg/kg)   Union Carbide Data Sheet. Vol. 10/5/1961,
rat LD50 oral 210mg/kg (210mg/kg)   Union Carbide Data Sheet. Vol. 10/5/1961,
rat LDLo intraperitoneal 11mg/kg (11mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 778, 1986.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 81-21-0