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81971-15-5

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Basic Information
CAS No.: 81971-15-5
Name: 9-BBN-NOPOL BENZYL ETHER ADDUCT
Molecular Structure:
Molecular Structure of 81971-15-5 (9-BBN-NOPOL BENZYL ETHER ADDUCT)
Formula: C26H39BO
Molecular Weight: 378.40
Synonyms: 9-Borabicyclo[3.3.1]nonane,9-[6,6-dimethyl-2-[2-(phenylmethoxy)ethyl]bicyclo[3.1.1]hept-3-yl]-, [1S-(1a,2b,3a,5a)]-;9-{(2R,3S)-2-[2-(benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-yl}-9-borabicyclo[3.3.1]nonane;
Density: 1.01 g/cm3
Boiling Point: 471.8 °C at 760 mmHg
Flash Point: 239.1 °C
Hazard Symbols: FlammableF; HarmfulXn
Risk Codes: 11-19-22-36/37/38
Safety: 16-26-27-36/37/39
Transport Information: UN 1993
PSA: 9.23000
LogP: 7.24870
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Specification

The NB-Enantrane, with the CAS registry number 81971-15-5, has the systematic name of 9-{(2R,3S)-2-[2-(benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-yl}-9-borabicyclo[3.3.1]nonane. And the molecular formula of the chemical is C26H39BO. What's more, it should be stored in sealed containers to avoid strong oxidizer, and should keep dry and cool at the same time.

The characteristics of NB-Enantrane are as followings: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: Å2; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 116.28 cm3; (7)Molar Volume: 373.3 cm3; (8)Polarizability: 46.09×10-24cm3; (9)Surface Tension: 37.7 dyne/cm; (10)Density: 1.01 g/cm3; (11)Flash Point: 239.1 °C; (12)Enthalpy of Vaporization: 70.65 kJ/mol; (13)Boiling Point: 471.8 °C at 760 mmHg; (14)Vapour Pressure: 1.28E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which may form explosive peroxides. And it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition and wear suitable protective clothing, gloves and eye/face protection. What's more, remenber to take off immediately all contaminated clothing after using it, 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: O(Cc1ccccc1)CC[C@@H]4[C@@H](B2C3CCCC2CCC3)CC5CC4C5(C)C
(2)InChI: InChI=1/C26H39BO/c1-26(2)20-16-24(26)23(14-15-28-18-19-8-4-3-5-9-19)25(17-20)27-21-10-6-11-22(27)13-7-12-21/h3-5,8-9,20-25H,6-7,10-18H2,1-2H3/t20?,21?,22?,23-,24?,25-/m0/s1
(3)InChIKey: OTFFBHKQLFFQNX-LPTBFMNOBS