(4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
Basic information
- CAS
957034-29-6- Standard SMILES
CC(C)(C)OC(=O)n1c(B(O)O)cc2c(Br)cccc21- InChIKey
WWSBCMYHAIKIPV-UHFFFAOYSA-N- Molecular formula
- C13H15BBrNO4
- Average molar mass
- 339.98 g/mol
- Monoisotopic mass
- 339.02775
Names & identifiers
- Preferred name
- (4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
- IUPAC
- [4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
- English name
- 1-Boc-4-bromo-2-indoleboronic acid
- Molecular formula
- C13H15BBrNO4
- Molecular weight
- 339.98
Names & synonyms
957034-29-61-BOC-4-bromo-indole-2-boronic acid(4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acidMFCD068016991-BOC-4-BROMO-2-INDOLEBORONIC ACID[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid4-Bromoindole-2-boronic acid, N-BOC protected1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-4-BROMO-, 1-(1,1-DIMETHYLETHYL) ESTER(4-bromo-1-tert-butoxycarbonyl-indol-2-yl)boronic acid[4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acidDTXSID90629628(4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronicacid
Show more names
4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid
AKOS004119246AB30109BS-22540SY4185334-Bromo-1-Boc-1H-indole-2-boronic AcidCS-00022144-Bromoindole-2-boronicacid,N-BOCprotected98%F87329
Database identifiers
- CAS
957034-29-6- PubChem CID
- 23005341
- DTXSID
DTXSID90629628
Properties
Computed structural properties
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 488.3 · 488.3±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.71 · 7.71±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933299090 · 2933299090
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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…