CAS No.77-73-6,Dicyclopentadiene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77-73-6
Name:	Dicyclopentadiene
Article Data:	65

Formula:	C₁₀H₁₂
Molecular Weight:	132.205
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;
EINECS:	201-052-9
Density:	1.049 g/cm³
Melting Point:	-1 °C
Boiling Point:	169.999 °C at 760 mmHg
Flash Point:	46.799 °C
Solubility:	26.5 mg/L at 25 °C in water
Appearance:	colourless crystals
Hazard Symbols:	F, Xn, N
Risk Codes:	11-20/22-36/37/38-51/53
Safety:	36/37-61
Transport Information:	UN 2048 3/PG 3
PSA:	0.00000
LogP:	2.38460

Raw Materials

285-67-6

298-12-4

765-46-8

108-95-2

Downstream Products

825-03-6

102-54-5

100-40-3

Total:93 Page 1 of 3 1 2 3 Next>>

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Specification

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.