CAS No.1095-03-0,TRIPHENYL BORATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1095-03-0
Name:	TRIPHENYL BORATE
Article Data:	60

Formula:	C₁₈H₁₅BO₃
Molecular Weight:	290.126
Synonyms:	Phenylborate ((C6H5O)3B) (7CI);Phenyl borate (6CI);Boron triphenoxide;Triphenoxyborane;Triphenoxyboron;
EINECS:	214-137-0
Density:	1.135 g/cm³
Melting Point:	98-101oC(lit.)
Boiling Point:	343.2oC at 760 mmHg
Flash Point:	113.4oC
Appearance:	White Solid
Hazard Symbols:	F,T
Risk Codes:	11-23/24/25-41
Safety:	16-26-36/37/39-45
Transport Information:	UN 2811 6.1/PG 3
PSA:	27.69000
LogP:	4.20830

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Specification

The Triphenyl borate, with the CAS registry number 1095-03-0, is also known as Boric acid, triphenyl ester. It belongs to the product categories of Boron compounds; B (Classes of Boron Compounds); Boric Acid Esters; Boric Acid Triesters; Boronic Acids and Derivatives; Organoborates; Organometallic Reagents; Aromatics; Boron Derivatives; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 214-137-0. This chemical's molecular formula is C₁₈H₁₅BO₃ and molecular weight is 290.12. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and sealed place. It can be used as an organoborane compound with chemosterilant activity against Cochliomyia hominivorax (screwworm flies). This chemical can also be used as competitive inhibitor of urease of Klebsiella aerogenes used to study the mechanisms of interaction with the nickel active site.

Physical properties about Triphenyl borate are: (1)ACD/LogP: 5.293; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6203.90; (6)ACD/BCF (pH 7.4): 6203.90; (7)ACD/KOC (pH 5.5): 18046.00; (8)ACD/KOC (pH 7.4): 18046.00; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 84.227 cm³; (15)Molar Volume: 255.666 cm³; (16)Polarizability: 33.39×10^-24cm³; (17)Surface Tension: 40.535 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 113.416 °C; (20)Enthalpy of Vaporization: 56.383 kJ/mol; (21)Boiling Point: 343.222 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Triphenyl borate: this chemical can be prepared by phenol. This reaction needs reagent BH₃*Me₂S and solvent tetrahydrofuran at temperature of 20 °C. The reaction time is 1 hour. The yield is 95 %.

Triphenyl borate can be prepared by phenol.

Uses of Triphenyl borate: it is used to produce other chemicals. For example, it can react with Tetra-O-acetyl-a-L-rhamnopyranose to get phenyl-(tri-O-acetyl-a-L-rhamnopyranoside). The reaction occurs with catalyst Yb(OTf)₃ at temperature of 20 °C. The yield is 71 %.

Triphenyl borate can react with Tetra-O-acetyl-a-L-rhamnopyranose to get phenyl-(tri-O-acetyl-a-L-rhamnopyranoside).

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to health at low levels and it has serious damage to eyes. In addition, it is toxic by inhalation, in contact with skin and if swallowed. Therefore, you must keep away from sources of ignition. You should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O(B(Oc1ccccc1)Oc2ccccc2)c3ccccc3
(2) InChI: InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
(3) InChIKey: MDCWDBMBZLORER-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	200mg/kg (200mg/kg)		"Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.