(2-Methoxy-3-methylphenyl)boronic acid
Basic information
- CAS
909187-39-9- Standard SMILES
COc1c(C)cccc1B(O)O- InChIKey
RGEFKQADFIJDCW-UHFFFAOYSA-N- Molecular formula
- C8H11BO3
- Average molar mass
- 165.98 g/mol
- Monoisotopic mass
- 166.0801244
Names & identifiers
- Preferred name
- (2-Methoxy-3-methylphenyl)boronic acid
- IUPAC
- (2-methoxy-3-methylphenyl)boronic acid
- English name
- 2-Methoxy-3-methylphenylboronic acid
- Molecular formula
- C8H11BO3
- Molecular weight
- 165.98
Names & synonyms
909187-39-9(2-Methoxy-3-methylphenyl)boronic acidDTXSID80629632RefChem:206101DTXCID30580385858-880-42-METHOXY-3-METHYLPHENYLBORONIC ACID2-METHOXY-3-METHYLPHENYL BORONIC ACIDMFCD068017312-METHOXY-3-METHYLPHENYLBORONICACIDSCHEMBL2944532SCHEMBL29458390
Show more names
AKOS BRN-06472-methoxy-3-methylbenzeneboronic acidBoronic acid, B-(2-methoxy-3-methylphenyl)-(2-Methoxy-3-methylphenyl)boronic acid - [M88978]
(2-Methoxy-3-methylphenyl)boronicacidAKOS004114012AB30192(2-methoxy-3-methyl-phenyl)boronic acidAS-49577SY362195DB-078838CS-0175762
Database identifiers
- CAS
909187-39-9- PubChem CID
- 23005356
- DTXSID
DTXSID80629632- EC Number
- 858-880-4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- 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.
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
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Applications
Uses2-Methoxy-3-methylphenyl Boronic Acid is used as a reactant in the synthesis of heterocyclic compounds as CGRP receptor antagonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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