Basic information
- CAS
2096334-00-6- Standard SMILES
Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Br- InChIKey
KCPRDDSQYLXYGE-UHFFFAOYSA-N- Molecular formula
- C13H17BBrFO2
- Average molar mass
- 314.99 g/mol
- Monoisotopic mass
- 314.0489
Names & identifiers
- Preferred name
- 2-(4-Bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(4-bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 2-(4-Bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Molecular formula
- C13H17BBrFO2
- Molecular weight
- 314.99
Names & synonyms
2096334-00-64-Bromo-2-fluoro-5-methylphenylboronic acid, pinacol ester2-(4-Bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMFCD204419071,3,2-Dioxaborolane, 2-(4-bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-SCHEMBL31531403DTXSID601139547AT16650BS-34440CS-0176361F6918154-Bromo-2-fluoro-5-methylphenylboronicacid,pinacolester
Show more names
2-Fluoro-4-bromo-5-methylphenylboronic acid pinacol ester4-Bromo-2-fluoro-5-methylphenylboronic acid pinacol ester2-(4-bromo-2-fluoro-5-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Database identifiers
- CAS
2096334-00-6- PubChem CID
- 56776868
- DTXSID
DTXSID601139547- EC Number
- 183-659-8
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 345.6 · 345.6±42.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- 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
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- 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
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司18455579438
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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