Basic information
- CAS
622864-48-6- Standard SMILES
COc1ccc(B(O)O)cc1O- InChIKey
YOPHDOOHKDJUAM-UHFFFAOYSA-N- Molecular formula
- C7H9BO4
- Average molar mass
- 167.96 g/mol
- Monoisotopic mass
- 168.05938917
Names & identifiers
- Preferred name
- (3-Hydroxy-4-methoxyphenyl)boronic acid
- IUPAC
- (3-hydroxy-4-methoxyphenyl)boronic acid
- English name
- Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI)
- Molecular formula
- C7H9BO4
- Molecular weight
- 167.96
Names & synonyms
622864-48-6(3-Hydroxy-4-methoxyphenyl)boronic acidDTXSID80621111RefChem:207669DTXCID405718653-Hydroxy-4-methoxyphenylboronic acidMFCD12025997Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI)3-hydroxy-4-methoxybenzeneboronic acid(3-hydroxy-4-methoxy-phenyl)boronic acidBoronic acid, B-(3-hydroxy-4-methoxyphenyl)-SCHEMBL3484229
Show more names
(3-Hydroxy-4-methoxyphenyl)boronic acid - [H89488]
YOPHDOOHKDJUAM-UHFFFAOYSA-NAKOS006315831(3-Hydroxy-4-methoxyphenyl)boronicacidAS-18715SY024914DB-348268CS-0174504R10067
Database identifiers
- CAS
622864-48-6- PubChem CID
- 21980666
- DTXSID
DTXSID80621111
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
- Melting point
- 221 °C · 221 °C
- Boiling point
- 380.5 · 380.5±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.63 · 8.63±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety data
- hs_code
- 2931900090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
天津羲泽润科技有限公司18622687818 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海萃森医药科技有限公司13472757003
南京代盟化工有限公司02566880956 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
Related reactions
2 records
Compound notes
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