Basic information
- Standard SMILES
CC(=O)c1ccc(B(O)O)cc1- InChIKey
OBQRODBYVNIZJU-UHFFFAOYSA-N- Molecular formula
- C8H9BO3
- Average molar mass
- 163.97 g/mol
Names & identifiers
- Preferred name
- 4-Acetylphenylboronic acid
- IUPAC
- (4-acetylphenyl)boronic acid
- English name
- 4-AcetylphenylboronicAcid
- Molecular weight
- 0
Names & synonyms
4-Acetylphenylboronic acid149104-90-54-Acetylbenzeneboronic AcidDTXSID90395250RefChem:517348DTXCID70346109629-086-3(4-acetylphenyl)boronic Acidp-acetylphenylboronic acidMFCD010746671-[4-(Dihydroxyboranyl)Phenyl]Ethan-1-One4-actylphenylboronic acid
Show more names
Boronic acid, B-(4-acetylphenyl)-4-acetyl phenyl boronic acid4-acetyl-phenyl boronic acid4-Acetylbenzeneboronic Acid (contains varying amounts of Anhydride)4-Acetylphenylboronicacid4-acetylphenyl boronic acidBORONIC ACID, (4-ACETYLPHENYL)-B-(4-Acetylphenyl)boronic Acid; 4-Acetylbenzeneboronic Acid
Database identifiers
- CAS
149104-47-5- ChEMBL
CHEMBL1209760- EC Number
- 629-086-3
- Nikkaji
- J912.812C
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
ecochem international chemical broker[email protected]
kemikalieimport[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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