(2-(2-Bromoethyl)phenyl)boronic acid
Basic information
- CAS
850568-82-0- Standard SMILES
OB(O)c1ccccc1CCBr- InChIKey
XIPVXKZTNMWBDZ-UHFFFAOYSA-N- Molecular formula
- C8H10BBrO2
- Average molar mass
- 228.88 g/mol
- Monoisotopic mass
- 227.99572
Names & identifiers
- Preferred name
- (2-(2-Bromoethyl)phenyl)boronic acid
- IUPAC
- [2-(2-bromoethyl)phenyl]boronic acid
- English name
- 2-(2-Bromoethyl)phenylboronic acid
- Molecular formula
- C8H10BBrO2
- Molecular weight
- 228.88
Names & synonyms
850568-82-0(2-(2-Bromoethyl)phenyl)boronic acid2-(2-Bromoethyl)phenylboronic acid[2-(2-bromoethyl)phenyl]boronic acid2-(2-Bromoethyl)benzeneboronic acidMFCD06659854SCHEMBL28494283DTXSID60657135AKOS015836217AB26477BS-25897DB-015892
Show more names
2-(2-Bromoethyl)benzeneboronic[2-(2-BROMOETHYL)BENZENE]BORONIC ACID2-(2-Bromoethyl)benzeneboronicacid97%2-(2-Bromoethyl)benzeneboronic acid 97%Boronic acid, B-[2-(2-bromoethyl)phenyl]-
CS-0175243
Database identifiers
- CAS
850568-82-0- PubChem CID
- 44119321
- DTXSID
DTXSID60657135
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 146 · 146-148
- Boiling point
- 359.9 · 359.9±44.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.53 · 8.53±0.53(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2931900090 · 2931900090
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
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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