Basic information
- CAS
401797-04-4- Standard SMILES
COc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
JDXGYRZLDSSGPW-UHFFFAOYSA-N- Molecular formula
- C13H18BBrO3
- Average molar mass
- 313 g/mol
- Monoisotopic mass
- 312.05324
Names & identifiers
- Preferred name
- 2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(3-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 3-BroMo-5-Methoxyphenylboronic acid pinacol ester
- Molecular formula
- C13H18BBrO3
- Molecular weight
- 313
Names & synonyms
401797-04-42-(3-BROMO-5-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEDTXSID40579285RefChem:84215DTXCID60530050805-541-33-Bromo-5-methoxyphenylboronic acid pinacol esterMFCD124053392-(3-bromo-5-methoxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL3612663(3-BROMO-5-METHOXYPHENYL)BORONIC ACID PINACOL ESTERJDXGYRZLDSSGPW-UHFFFAOYSA-N
Show more names
2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxab...1,3,2-Dioxaborolane, 2-(3-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-2-(3-Bromo-5-methoxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, CAS 401797-04-4
AKOS016339816AS-2572CS-0173898F389131(3-BROMO-5-METHOXYPHENYL)BORONIC ACID PINAC2-(3-bromo-5-methoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(3-methoxy-5-bromophenyl)-4,4,5,5,-tetramethyl-1,3,2-dioxaborolane
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 370.5 · 370.5±32.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)；Acute Tox. 4 (100%)；Acute Tox. 4 (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
Upstream & downstream products
Upstream raw materials
Suppliers29 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
Aladdin Scientific[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
孟成科技（上海）有限公司400-820-6829 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
宁波苯康基石医药科技有限公司15990591583
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Related reactions
4 records
Compound notes
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