Triphenyl borate
Basic information
- CAS
1095-03-0- Standard SMILES
c1ccc(OB(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
MDCWDBMBZLORER-UHFFFAOYSA-N- Molecular formula
- C18H15BO3
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 290.1114245
Names & identifiers
- Preferred name
- Triphenyl borate
- IUPAC
- triphenyl borate
- English name
- Triphenyl borate
- Molecular formula
- C18H15BO3
- Molecular weight
- 290.12
Names & synonyms
Triphenyl boratePhenyl borateBORIC ACID, TRIPHENYL ESTERBoric acid (H3BO3), triphenyl esterNSC 806AI3-60376EINECS 214-137-0BRN 20562174-06-00-00769 (Beilstein Handbook Reference)DTXSID40148955RefChem:191890DTXCID7071446
Show more names
Boron Triphenoxidetris(phenoxy)boranePhenyl borate (6CI)Boric acid triphenylTriphenyl Borate >
214-137-0MDCWDBMBZLORER-UHFFFAOYSA-N1095-03-0TriphenoxyboraneTriphenoxyboronPhenyl borate, (PhO)3 BMFCD00059011Trifenylester kyseliny borite
Database identifiers
- CAS
1095-03-0- PubChem CID
- 14182
- DTXSID
DTXSID40148955- ChEMBL
CHEMBL2386189- UNII
- K5KDR369FA
- EC Number
- 214-137-0
- Nikkaji
- J42.794B
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Boron)
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 98 · 98-101 °C (lit.)
- Boiling point
- 158 °C/0.05mmHg · 158°C/0.05mmHg(lit.)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- Soluble in chloroform, methanol.
- form
- Solid
- color
- White to Light yellow
- Sensitive
- Moisture Sensitive
- 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
- InChIKey
- MDCWDBMBZLORER-UHFFFAOYSA-N
- SMILES
- B(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA severe eye irritant; [RTECS] An irritant that may cause serious eye injury; Toxic by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See Trimethyl borate, Triethyl borate, and Tributyl borate.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- ED5775000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2931.90.6000
- risk_code
- 11-23/24/25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- F,T
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 6.1
Chemistry & industry
Applications
UsesTriphenyl borate is a useful boronic ester with chemosterilant activity against Cochliomyia hominivorax. It is also used as a competitive inhibitor of urease of Klebsiella aerogenes used to study the mechanisms of interaction with the nickel active site.
UsesAn organoborane compound with chemosterilant activity against Cochliomyia hominivorax (screwworm flies). Triphenyl Borate can be used as a competitive inhibitor of urease of Klebsiella aerogenes used to study the mechanisms of interaction with the nickel active site.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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