(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid
Basic information
- CAS
1025495-85-5- Standard SMILES
Cc1cc(C)n(-c2ccc(B(O)O)cc2)n1- InChIKey
OJUOPNGDUVRDFU-UHFFFAOYSA-N- Molecular formula
- C11H13BN2O2
- Average molar mass
- 216.05 g/mol
- Monoisotopic mass
- 216.1070078
Names & identifiers
- Preferred name
- (4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid
- IUPAC
- [4-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid
- English name
- [4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid
- Molecular formula
- C11H13BN2O2
- Molecular weight
- 216.04
Names & synonyms
1025495-85-5(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acidDTXSID00586298RefChem:208491DTXCID00537063970-813-14-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYLBORONIC ACIDMFCD08572133[4-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acidSCHEMBL15332028Boronic acid, B-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-
Show more names
[4-(3,5-dimethyl-1-pyrazolyl)phenyl]boronic acid
boronic acid, [4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-ALBB-011835SBB025614STK352549AKOS003237311AT12649NCGC00662952-01BS-19224
Database identifiers
- CAS
1025495-85-5- PubChem CID
- 16640532
- DTXSID
DTXSID00586298- EC Number
- 970-813-1
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- 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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenylboronic acid
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Related reactions
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Compound notes
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