{4-[(Dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride
Basic information
- CAS
1485417-92-2- Standard SMILES
CN(C)Cc1ccc(B(O)O)cc1F.Cl- InChIKey
DVDVVRWHHOBPEU-UHFFFAOYSA-N- Molecular formula
- C9H14BClFNO2
- Average molar mass
- 233.48 g/mol
- Monoisotopic mass
- 233.0790147
Names & identifiers
- Preferred name
- {4-[(Dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride
- IUPAC
- [4-[(dimethylamino)methyl]-3-fluorophenyl]boronic acid;hydrochloride
Names & synonyms
{4-[(dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride1485417-92-2(4-((dimethylamino)methyl)-3-fluorophenyl)boronic acid hydrochloride(4-[(DIMETHYLAMINO)METHYL]-3-FLUOROPHENYL)BORONIC ACID HYDROCHLORIDERefChem:401929869-905-3[4-[(dimethylamino)methyl]-3-fluorophenyl]boronic acid;hydrochlorideKJC41792EN300-115448G45926Z2417560387{4-[(dimethylamino)methyl]-3-fluorophenyl}boronicacidhydrochloride
Database identifiers
- CAS
1485417-92-2- PubChem CID
- 71756946
- EC Number
- 869-905-3
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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