Basic information
- CAS
2058056-24-7- Standard SMILES
COC(=O)c1cccc(CBr)c1B1OC(C)(C)C(C)(C)O1- InChIKey
VFDQYJDAJPLBRP-UHFFFAOYSA-N- Molecular formula
- C15H20BBrO4
- Average molar mass
- 355.03 g/mol
- Monoisotopic mass
- 354.0638
Names & identifiers
- Preferred name
- Methyl 3-(bromomethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate
- IUPAC
- methyl 3-(bromomethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- English name
- methyl 3-(bromomethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Molecular formula
- C15H20BBrO4
- Molecular weight
- 355.03
Names & synonyms
METHYL 3-(BROMOMETHYL)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE2058056-24-7MFCD31556988SCHEMBL18362479F796146METHYL3-(BROMOMETHYL)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATEBenzoic acid, 3-(bromomethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Database identifiers
- CAS
2058056-24-7- PubChem CID
- 138106357
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 443.4 · 443.4±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海安娅医药科技有限公司19106202509 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
济南景源生物科技有限公司18678301331 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…