Basic information
- CAS
259209-33-1- Standard SMILES
CC(C)c1ccc(O)c(B(O)O)c1- InChIKey
WCFJCIMGOCZBLG-UHFFFAOYSA-N- Molecular formula
- C9H13BO3
- Average molar mass
- 180.01 g/mol
- Monoisotopic mass
- 180.0957744
Names & identifiers
- Preferred name
- [2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid
- IUPAC
- (2-hydroxy-5-propan-2-ylphenyl)boronic acid
- English name
- Boronic acid, [2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
- Molecular formula
- C9H13BO3
- Molecular weight
- 180.01
Names & synonyms
259209-33-1[2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid(2-Hydroxy-5-isopropylphenyl)boronic acidBoronic acid,[2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)(2-hydroxy-5-propan-2-ylphenyl)boronic acidstarbld0018452SCHEMBL7235456DTXSID70595155JKA20933HS-5763EN300-6489309Z1504683012
Show more names
2-Hydroxy-5-isopropylphenylboronic acidBoronic acid, B-[2-hydroxy-5-(1-methylethyl)phenyl]-Boronic acid, [2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
Database identifiers
- CAS
259209-33-1- PubChem CID
- 18616949
- DTXSID
DTXSID70595155
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 340 · 340.0±52.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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