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12113-07-4

Basic Information
CAS No.: 12113-07-4
Name: Triphenylborane-sodium hydroxide adduct
Molecular Structure:
Molecular Structure of 12113-07-4 (Triphenylborane-sodium hydroxide adduct)
Formula: C18H15B.NaOH
Molecular Weight: 282.12
Synonyms: Borate(1-),hydroxytriphenyl-, sodium, (T-4)- (9CI);Sodium hydroxytriphenylborate (7CI);Sodium hydroxide, compd. with Ph3B (1:1);
EINECS: 235-171-2
Density: 1.07 g/mL at 25 °C
Solubility: Soluble in water
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 3267
PSA: 23.06000
LogP: 2.02600
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Specification

The Triphenylborane-sodium hydroxide adduct, with cas registry number 12113-07-4, belongs to the following product categories: (1)B (Classes of Boron Compounds); (2)B-Bromocatecholborane, etc.; (3)Boronic Acids and Derivatives; (4)Organometallic Reagents; (5)Others. Its systematic name and its IUPAC name are the same, which is sodium hydroxy(triphenyl)boranuide.

Physical properties about this chemical are: (1)#H bond acceptors: 1; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 20.23 Å2.

When you are using this chemical, please be cautious about it as the following:
The Triphenylborane-sodium hydroxide adduct may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O[B-](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1
(3)InChIKey: SUZMSMLUONFLDA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1
(5)Std. InChIKey: SUZMSMLUONFLDA-UHFFFAOYSA-N