CAS No.2234-26-6,2-NORBORNANECARBONITRILE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2234-26-6
Name:	2-NORBORNANECARBONITRILE
Article Data:	26

Formula:	C₈H₁₁N
Molecular Weight:	121.182
Synonyms:	2-Norbornanecarbonitrile(6CI,7CI,8CI);2-Cyanobicyclo[2.2.1]heptane;
EINECS:	218-782-9
Density:	1.01 g/cm³
Melting Point:	43-45 ºC
Boiling Point:	192.4 °C at 760 mmHg
Flash Point:	78.9 °C
Appearance:	white to beige-brown adhering crystalline solid
Hazard Symbols:	F,Xn
Risk Codes:	11-20/21/22-36/37/38
Safety:	16-26-27-36/37/39
Transport Information:	UN 1325 4
PSA:	23.79000
LogP:	1.94618

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Specification

The Bicyclo[2.2.1]heptane-2-carbonitrile, with the CAS registry number 2234-26-6, is also known as 2-Norbornanecarbonitrile. It belongs to the product categories of C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Its EINECS registry number is 218-782-9. This chemical's molecular formula is C₈H₁₁N and molecular weight is 121.1796. What's more, its IUPAC name is called Bicyclo[2.2.1]heptane-3-carbonitrile.

Physical properties about Bicyclo[2.2.1]heptane-2-carbonitrile are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.66; (6)ACD/BCF (pH 7.4): 7.66; (7)ACD/KOC (pH 5.5): 149.5; (8)ACD/KOC (pH 7.4): 149.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 34.87 cm³; (15)Molar Volume: 118.9 cm³; (16)Polarizability: 13.82×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 42.86 kJ/mol; (21)Boiling Point: 192.4 °C at 760 mmHg; (22)Vapour Pressure: 0.49 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause damage to health. Besides, it is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical irritates to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, take off immediately all contaminated clothing. In addition, this chemical may catch fire in contact with air and may evolve highly flammable gases in contact with water. So it must be stored in airtight containers and placed in a dry, ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC2CC1CCC2C1
(2) InChI: InChI=1/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2
(3) InChIKey: GAHKEUUHTHVKEA-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol.