4-(Benzyloxy)-3-bromo-1H-indole, N-BOC protected
Basic information
- CAS
914349-26-1- Standard SMILES
CC(C)(C)OC(=O)n1cc(Br)c2c(OCc3ccccc3)cccc21- InChIKey
UACXJDPPSVYRDI-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO3
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.06266
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-bromo-1H-indole, N-BOC protected
- IUPAC
- tert-butyl 3-bromo-4-phenylmethoxyindole-1-carboxylate
- English name
- 1-Boc-4-benzyloxy-3-bromoindole
- Molecular formula
- C20H20BrNO3
- Molecular weight
- 402.28
Names & synonyms
4-(Benzyloxy)-3-bromo-1H-indole, N-BOC protectedRefChem:515217816-393-4914349-26-11-Boc-4-BENZYLOXY-3-BROMOINDOLEtert-Butyl 4-(benzyloxy)-3-bromo-1H-indole-1-carboxylatetert-butyl 3-bromo-4-phenylmethoxyindole-1-carboxylateMFCD058647684-Benzyloxy-3-bromoindole, N-BOC protected1-Boc-4-(benzyloxy)-3-bromoindole4-Benzyloxy-3-bromoindole-1-carboxylic acid tert-butyl esterDTXSID10654336
Show more names
4-(Benzyloxy)-3-bromo-1H-indole,N-BOCprotected98%4-(Benzyloxy)-3-bromo-1H-indole, N-BOC protected 98%1H-Indole-1-carboxylic acid, 3-bromo-4-(phenylmethoxy)-, 1,1-dimethylethyl estertert-Butyl 4-(benzyloxy)-3-bromo-1H-indole-1-carboxylate, 4-(Benzyloxy)-3-bromo-1-(tert-butoxycarbonyl)-1H-indole
AKOS016004450PS-6978SY372709DB-079037CS-0316892tert-butyl 4-benzyloxy-3-bromo-indole-1-carboxylate
Database identifiers
- CAS
914349-26-1- PubChem CID
- 40428552
- DTXSID
DTXSID10654336- EC Number
- 816-393-4
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 501.3 · 501.3±58.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…