(3-(1H-pyrazol-1-yl)phenyl)boronic acid
Basic information
- CAS
476620-22-1- Standard SMILES
OB(O)c1cccc(-n2cccn2)c1- InChIKey
NMBKAXJHGMDYGA-UHFFFAOYSA-N- Molecular formula
- C9H9BN2O2
- Average molar mass
- 187.99 g/mol
- Monoisotopic mass
- 188.07570793
Names & identifiers
- Preferred name
- (3-(1H-pyrazol-1-yl)phenyl)boronic acid
- IUPAC
- (3-pyrazol-1-ylphenyl)boronic acid
- English name
- 3-Pyrazol-1-yl-phenylboronic acid
- Molecular formula
- C9H9BN2O2
- Molecular weight
- 187.99
Names & synonyms
476620-22-1(3-(1H-pyrazol-1-yl)phenyl)boronic acid3-PYRAZOL-1-YL-PHENYLBORONIC ACID[3-(1H-pyrazol-1-yl)phenyl]boronic acid3-(1H-pyrazol-1-yl)phenylboronic acid(3-pyrazol-1-ylphenyl)boronic acidMFCD058645823-(1-Pyrazolyl)phenylboronic AcidBORONIC ACID, [3-(1H-PYRAZOL-1-YL)PHENYL]-(3-(1H-pyrazol-1-yl)phenyl)boronicacidSCHEMBL552775DTXSID40586297
Show more names
CHEMBRDG-BB 4009715[3-(1-pyrazolyl)phenyl]boronic acid3-(1H-pyridineazole-1-yl)phenylboronic acidBoronic acid, B-[3-(1H-pyrazol-1-yl)phenyl]-[3-(1H-pyrazol-1-yl)phenyl]boronic acid(SALTDATA: FREE)
NMBKAXJHGMDYGA-UHFFFAOYSA-N3-1H-pyrazolyl-phenylboronic acidALBB-0118333-(1H-pyrazolyl)-phenylboronic acidSBB025613STK352548AKOS003237287AB22839
Database identifiers
- CAS
476620-22-1- PubChem CID
- 16640530
- DTXSID
DTXSID40586297
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
12 records
Compound notes
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