Product Name

  • Name

    Tetrahydrocyclopentadiene

  • EINECS 220-585-8
  • CAS No. 2825-82-3
  • Article Data23
  • CAS DataBase
  • Density 0.976 g/cm3
  • Solubility 2.87mg/L at 25℃
  • Melting Point
  • Formula C10H16
  • Boiling Point 192.5 °C at 760 mmHg
  • Molecular Weight 136.237
  • Flash Point 40.6 °C
  • Transport Information
  • Appearance Ckear, colorless solution.
  • Safety 16
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 2825-82-3 (Tetrahydrocyclopentadiene)
  • Hazard Symbols
  • Synonyms 4,7-Methano-1H-indene,octahydro-, (3aa,4b,7b,7aa)-;4,7-Methanoindan, hexahydro-, exo- (8CI);exo-3,4,8,9-Tetrahydrodicyclopentadiene;exo-5,6-Trimethylenenorbornane;exo-Octahydro-4,7-methano-1H-indene;exo-Tetrahydrobicyclopentadiene;exo-Tetrahydrodicyclopentadiene;exo-Tricyclo[5.2.1.02,6]decane;exo-Trimethylenenorbornane;
  • PSA 0.00000
  • LogP 2.83260

exo-Tetrahydrocyclopentadiene Consensus Reports

Reported in EPA TSCA Inventory.

exo-Tetrahydrocyclopentadiene Specification

The systematic name of exo-Trimethylenenorbornane is (3aR,4S,7R,7aS)-octahydro-1H-4,7-methanoindene. With the CAS registry number 2825-82-3, it is also named as JP 10. The product's classification codes are Mutation data; Reproductive Effect; Tumor data, and the other registry number is 50745-89-6. Besides, it is , which should be stored in closed, cool and dry place. It is flammable. When you are using this chemical, please away from sources of ignition. In addition, its molecular formula is C10H16 and molecular weight is 136.24.

The other characteristics of exo-Trimethylenenorbornane can be summarized as: (1)EINECS: 220-585-8; (2)ACD/LogP: 4.22; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.22; (5)ACD/LogD (pH 7.4): 4.22; (6)ACD/BCF (pH 5.5): 952.17; (7)ACD/BCF (pH 7.4): 952.17; (8)ACD/KOC (pH 5.5): 4718.05; (9)ACD/KOC (pH 7.4): 4718.05; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 42.22 cm3; (15)Molar Volume: 139.4 cm3; (16)Polarizability: 16.73×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.976 g/cm3; (19)Flash Point: 40.6 °C; (20)Enthalpy of Vaporization: 41.12 kJ/mol; (21)Boiling Point: 192.5 °C at 760 mmHg; (22)Vapour Pressure: 0.678 mmHg at 25 °C.

Uses of exo-Trimethylenenorbornane: this chemical can be used as high-energy fuel in military field and aerospace field. It is also used to produce pharmaceutical intermediates, pesticide intermediates, veterinary drugs intermediates, rubber and photographic materials. Moreover, it can be used in technology field.

People can use the following data to convert to the molecule structure.
(1)SMILES: C2C[C@@H]3[C@H]1CC[C@H](C1)[C@@H]3C2
(2)InChI: InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
(3)InChIKey: LPSXSORODABQKT-FIRGSJFUBZ
(4)Std. InChI: InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
(5)Std. InChIKey: LPSXSORODABQKT-FIRGSJFUSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 intraperitoneal 1400uL/kg (1.4mL/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 214, 1992.
hamster LD50 oral > 20mL/kg (20mL/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 214, 1992.
mouse LC50 inhalation 930ppm/4H (930ppm)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 214, 1992.
mouse LD50 intraperitoneal 1100uL/kg (1.1mL/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 214, 1992.
mouse LD50 oral 3660mg/kg (3660mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. AD-A086-341,
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 20(5/6), Pg. 772, 1973.
rat LC50 inhalation 1194ppm/4H (1194ppm)   National Technical Information Service. Vol. AD-A086-341,
rat LD50 intraperitoneal 1200uL/kg (1.2mL/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 214, 1992.
rat LD50 oral > 18800mg/kg (18800mg/kg)   National Technical Information Service. Vol. AD-A086-341,

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