CAS No.2825-82-3,Tetrahydrocyclopentadiene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2825-82-3
Name:	Tetrahydrocyclopentadiene
Article Data:	23

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,