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| CAS No.: | 2825-82-3 |
|---|---|
| Name: | Tetrahydrocyclopentadiene |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| 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; |
| EINECS: | 220-585-8 |
| Density: | 0.976 g/cm3 |
| Boiling Point: | 192.5 °C at 760 mmHg |
| Flash Point: | 40.6 °C |
| Solubility: | 2.87mg/L at 25℃ |
| Appearance: | Ckear, colorless solution. |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 0.00000 |
| LogP: | 2.83260 |
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Consensus Reports
Reported in EPA TSCA Inventory.
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, |