Basic information
- Name:
Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol
- Superlist Name:
- 5-Norbornene-2,2-dimethanol
- CAS No.:
6707-12-6
- Molecular Structure:
![Molecular Structure of 6707-12-6 (Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol)](http://www.lookchem.com/300w/2010/0623/6707-12-6.jpg)
- Formula:
- C9H14O2
- Molecular Weight:
- 154.21
- Synonyms:
- 5-Norbornene-2,2-dimethanol(7CI,8CI);2,2-Dimethylolbicyclo[2.2.1]hept-5-ene;2,5-Endomethylene-3-cyclohexene-1,1-dimethanol;5,5-Norbornenedimethanol;bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol;Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol;
- Density:
- 1.15 g/cm3
- Melting Point:
- 111-113 °C(lit.)
- Boiling Point:
- 252.9 °C at 760 mmHg
- Flash Point:
- 118.3 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Specification
The Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, with the CAS registry number 6707-12-6, has the systematic name of bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol. It belongs to the following product categories: Alicyclic/Etch-Resistant Monomers; Lithography Monomers; Self Assembly & Contact Printing. And the molecular formula of the chemical is C9H14O2.
The characteristics of Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol are as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.2; (8)ACD/KOC (pH 7.4): 35.2; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 42.3 cm3; (15)Molar Volume: 134 cm3; (16)Polarizability: 16.76×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 56.96 kJ/mol; (21)Boiling Point: 252.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00292 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC2(C1\C=C/C(C1)C2)CO
(2)InChI: InChI=1/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2
(3)InChIKey: DSHXMENPUICESR-UHFFFAOYAV