Tert-butyl 3-(benzyloxy)-4-bromobenzoate
Basic information
- CAS
247186-50-1- Standard SMILES
CC(C)(C)OC(=O)c1ccc(Br)c(OCc2ccccc2)c1- InChIKey
YLDFIOUCSZWEGJ-UHFFFAOYSA-N- Molecular formula
- C18H19BrO3
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.05176
Names & identifiers
- Preferred name
- Tert-butyl 3-(benzyloxy)-4-bromobenzoate
- IUPAC
- tert-butyl 4-bromo-3-phenylmethoxybenzoate
- English name
- tert-Butyl 3-benzyloxy-4-bromobenzoate
- Molecular formula
- C18H19BrO3
- Molecular weight
- 363.25
Names & synonyms
247186-50-1tert-Butyl 3-benzyloxy-4-bromobenzoatetert-butyl 3-(benzyloxy)-4-bromobenzoatetert-butyl 4-bromo-3-phenylmethoxybenzoateMFCD09027266Benzoic acid, 4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl estertert-Butyl3-(benzyloxy)-4-bromobenzoateDTXSID40649558AKOS015839307tert-butyl 3-benzyloxy-4-bromo-benzoateBS-22116DB-371875
Show more names
tert-Butyl3-benzyloxy-4-bromobenzoate98%tert-Butyl 3-benzyloxy-4-bromobenzoate 98%1,1-Dimethylethyl 4-bromo-3-(phenylmethoxy)benzoate
CS-0212062
Database identifiers
- CAS
247186-50-1- PubChem CID
- 25307100
- DTXSID
DTXSID40649558- Nikkaji
- J1.180.640F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 443.3 · 443.3±30.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Note
- Irritant
- HS Code
- 2916399090 · 2916399090
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
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Irritant
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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