Basic information
- CAS
259209-17-1- Standard SMILES
COc1cccc(B(O)O)c1O- InChIKey
BTYZWLYIOSFCJX-UHFFFAOYSA-N- Molecular formula
- C7H9BO4
- Average molar mass
- 167.96 g/mol
- Monoisotopic mass
- 168.0593889
Names & identifiers
- Preferred name
- 3-Methoxy-2-Hydroxyphenyl Boronic Acid
- IUPAC
- (2-hydroxy-3-methoxyphenyl)boronic acid
- English name
- 3-Methoxy-2-hydroxyphenyl boronic acid
- Molecular formula
- C7H9BO4
- Molecular weight
- 167.96
Names & synonyms
3-METHOXY-2-HYDROXYPHENYL BORONIC ACIDRefChem:503066108-351-2259209-17-1(2-Hydroxy-3-methoxyphenyl)boronic acid2-Hydroxy-3-methoxyphenylboronic acid3-METHOXY-2-HYDROXYPHENYLBORONIC ACIDMFCD08689552Boronic acid, B-(2-hydroxy-3-methoxyphenyl)-AKOS006289760BS-221353-methoxy-2-hydroxyphenyl boronic acid, AldrichCPR
Show more names
Boronic acid,B-(2-hydroxy-3-methoxyphenyl)-[2-hydroxy-3-(Methyloxy)phenyl]boronic acidREF DUPL: 3-Methoxy-2-hydroxyphenylboronic acid(2-Hydroxy-3-methoxyphenyl)boronic acid - [H88954]
AMY29891(2-Hydroxy-3-SCHEMBL1492289DTXSID90595157(2-Hydroxy-3-methoxyphenyl)boronicacidAB48276AT35096SY066358
Database identifiers
- CAS
259209-17-1- PubChem CID
- 18616970
- DTXSID
DTXSID90595157- EC Number
- 108-351-2
- Nikkaji
- J3.298.130E
Properties
Computed structural properties
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 356.6 · 356.6±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.18 · 8.18±0.58(Predicted)
- form
- solid
- color
- Grey
- InChI
- 1S/C7H9BO4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9-11H,1H3
- InChIKey
- BTYZWLYIOSFCJX-UHFFFAOYSA-N
- SMILES
- COc1cccc(B(O)O)c1O
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
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]
P264, P270, P301+P317, P330, 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%)
Safety data
- wgk
- WGK 3
- hs_code
- 2931900090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers34 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
成都安斯利生物医药有限公司028-85305008 02885305008 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
武汉凯威斯科技有限公司
Related reactions
4 records
Compound notes
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