Basic information
- Standard SMILES
OB(O)c1ccccc1- InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N- Molecular formula
- C6H7BO2
- Average molar mass
- 121.93 g/mol
Overview
Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid.
Names & identifiers
- Preferred name
- Phenylboronic Acid
- IUPAC
- phenylboronic acid
- English name
- PhenylboronicAcid
- Molecular weight
- 0
Names & synonyms
Phenylboronic acid98-80-6Benzeneboronic acidBoronic acid, phenyl-DihydroxyphenylboranePhenyldihydroxyboraneBorophenylic acidPHENYL BORONIC ACIDDihydroxy(phenyl)boraneAcide phenylboriqueKyselina fenylboritaPhenylboron dihydroxide
Show more names
L12H7B02G5NSC-66487DTXSID9059179CHEBI:44923RefChem:562986DTXCID6049062202-701-9phenylboronate
Database identifiers
- CAS
90-80-6- ChEMBL
CHEMBL21485- ChEBI
CHEBI:44923- UNII
- L12H7B02G5
- EC Number
- 202-701-9
- Nikkaji
- J119.652I
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79.1
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Boron)
DrugsPharmaceuticals -> Listed in ZINC15
Boiling Point219 °C @760 [mm Hg]
Vapor Pressure0.00000856 [mmHg]
Physical DescriptionSolid; [Merck Index] White to off-white hygroscopic solid; [Acros Organics MSDS]
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 208 reports by companies from 17 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Boronic acid, phenyl-
Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySpontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air; [Merck Index] An irritant; Harmful by ingestion; [Acros Organics MSDS] See Boron.
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)
Safety & protection
Protective Action Criteria (PAC)
2.2 [mg/m3]
24 [mg/m3]
150 [mg/m3]
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBoronic acid, B-phenyl-: ACTIVE
Suppliers4 total
沈阳龙邦商贸有限公司[email protected]
PARAGOS[email protected]
Service Chemical Inc.[email protected]
kemikalieimport[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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