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Name |
Dicyclopentadiene |
EINECS | 201-052-9 |
CAS No. | 77-73-6 | Density | 1.049 g/cm3 |
PSA | 0.00000 | LogP | 2.38460 |
Solubility | 26.5 mg/L at 25 °C in water | Melting Point |
-1 °C |
Formula | C10H12 | Boiling Point | 169.999 °C at 760 mmHg |
Molecular Weight | 132.205 | Flash Point | 46.799 °C |
Transport Information | UN 2048 3/PG 3 | Appearance | colourless crystals |
Safety | 36/37-61 | Risk Codes | 11-20/22-36/37/38-51/53 |
Molecular Structure | Hazard Symbols | F, Xn, N | |
Synonyms |
Tricyclo[5.2.1.02,6]deca-3,8-diene;Ultrene;4,7-Methanoindene,3a,4,7,7a-tetrahydro- (7CI,8CI);3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene;3a,4,7,7a-Tetrahydro-4,7-methanoindene;Bicyclopentadiene;Biscyclopentadiene;Cyclopentadiene dimer;DCPD 103;Dicyclopentadiene;JP 10;NSC 7352;Prometa XP100;Tricyclo[4.3.1.02,5]deca-3,7-diene; |
Article Data | 65 |
The systematic name of Dicyclopentadiene is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene. With the CAS registry number 77-73-6, it is also named as 1,3-Cyclopentadiene, dimer. The product's category is Pharmaceutical Intermediates, and the other registry numbers are 107760-16-7; 275363-11-6; 45737-84-6; 54335-17-0. Besides, it is colourless crystals with a camphor-like odour, which should be sealed in a cool, ventilated warehouse. And it is stable at room temperature, but may form explosive peroxides if stored in contact with air. In addition, its molecular formula is C10H12 and molecular weight is 132.20.
The other characteristics of this product can be summarized as: (1)EINECS: 201-052-9; (2)ACD/LogP: 3.71; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.707; (5)ACD/LogD (pH 7.4): 3.707; (6)ACD/BCF (pH 5.5): 386.385; (7)ACD/BCF (pH 7.4): 386.385; (8)ACD/KOC (pH 5.5): 2473.966; (9)ACD/KOC (pH 7.4): 2473.966; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.429 cm3; (15)Molar Volume: 126.035 cm3; (16)Surface Tension: 41.876 dyne/cm; (17)Density: 1.049 g/cm3; (18)Flash Point: 46.799 °C; (19)Melting Point: -1 °C; (20)FreezingPoint: 31.5 °C; (21)Water Solubility: 26.5 mg/L at 25 °C; (22)Enthalpy of Vaporization: 38.971 kJ/mol; (23)Boiling Point: 169.999 °C at 760 mmHg; (24)Vapour Pressure: 1.991 mmHg at 25 °C.
Preparation of Dicyclopentadiene: you can distill light benzene in the coal tar. And then take benzene headfraction below 70 °C. At last, you would obtain this chemical after heating, polymerization and distillation.
Uses of Dicyclopentadiene: this chemical can be coproduced in large quantities in the steam cracking of naphtha and gas oils to Ethylene. And it can react with Aluminium chloride to prduce Adamantane. Additionally, it is used in inks, adhesives, and paints. It can also be used in resins, particularly, unsaturated polyester resins. The product is a kind of high-energy fuel. Furthermore, it is used in the synthesis of EPDM, ENB, and in pharmaceutical synthesis.
When you are using this chemical, please be cautious about it as the following: it is highly flammable. It is also harmful by inhalation and if swallowed.And it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing and gloves. Moreover, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please avoid release to the environment. Refer to special instructions safety data sheet.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1C=CC2C1C3CC2C=C3
(2)InChI: InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
(3)InChIKey: HECLRDQVFMWTQS-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - domestic | LD50 | oral | 1010mg/kg (1010mg/kg) | National Technical Information Service. Vol. AD-A087-257, | |
cattle | LD50 | oral | 1200mg/kg (1200mg/kg) | BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. AD-A093-673, |
dog | LCLo | inhalation | 773ppm/1H (773ppm) | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. | |
guinea pig | LC50 | inhalation | 770ppm/4H (770ppm) | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. | |
mammal (species unspecified) | LD50 | intraperitoneal | 960mg/kg (960mg/kg) | National Technical Information Service. Vol. AD-A087-257, | |
mouse | LC50 | inhalation | 145ppm/4H (145ppm) | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. | |
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. Vol. PH43-64-886, | |
mouse | LD50 | oral | 190mg/kg (190mg/kg) | "Proceedings of the International Congress on Toxicology, Toxicology as a Predictive Science, 1st, Toronto, 1977," Plaa, G.L., and W.A. Duncan, eds., New York, Academic Press, Inc., 1978Vol. -, Pg. 448, 1978. | |
rabbit | LC50 | inhalation | 771ppm/4H (771ppm) | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. | |
rabbit | LD50 | skin | 5080mg/kg (5080mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. |
rat | LC50 | inhalation | 660ppm/4H (660ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | National Technical Information Service. Vol. OTS0557739, |
rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. Vol. PH43-64-886, | |
rat | LD50 | oral | 353mg/kg (353mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Toxicology and Applied Pharmacology. Vol. 20, Pg. 552, 1971. |