3,5-Dinitro-2-methylphenylboronic acid
Basic information
- CAS
24341-76-2- Standard SMILES
Cc1c(B(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ZESXGHPFWNSQQV-UHFFFAOYSA-N- Molecular formula
- C7H7BN2O6
- Average molar mass
- 225.95 g/mol
- Monoisotopic mass
- 226.0397161
Names & identifiers
- Preferred name
- 3,5-Dinitro-2-methylphenylboronic acid
- IUPAC
- (2-methyl-3,5-dinitrophenyl)boronic acid
- English name
- (3,5-Dinitro-2-methylphenyl)boronic acid
- Molecular formula
- C7H7BN2O6
- Molecular weight
- 225.95
Names & synonyms
24341-76-23,5-Dinitro-2-methylphenylboronic acid(3,5-DINITRO-2-METHYLPHENYL)BORONIC ACID(2-methyl-3,5-dinitrophenyl)boronic acid3,5-Dinitro-2-methylbenzeneboronic acidMFCD00757434Boronicacid, B-(2-methyl-3,5-dinitrophenyl)-C7H7BN2O6(2-methyl-3,5-dinitro-phenyl)boronic AcidSCHEMBL4259644DTXSID10402278AKOS015833362
Show more names
3,5-Dinitro-2-methyL2-Borono-4,6-dinitrotoluene3,5-Dinitro-2-methylbenzeneboronicacid96%3,5-Dinitro-2-methylbenzeneboronic acid 96%
AB07034PS-9589DB-015863Boronicacid,b-(2-methyl-3,5-dinitrophenyl)-3,5-Dinitro-2-methylbenzeneboronic acid, 96%N11957F337932
Database identifiers
- CAS
24341-76-2- PubChem CID
- 4353496
- DTXSID
DTXSID10402278
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 122 · 122-128°C
- form
- solid
- color
- light yellow
- 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
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Uses3,5-Dinitro-2-methylphenylboronic acid
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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