Basic information
- CAS
315237-20-8- Standard SMILES
COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)(C)C)cc12- InChIKey
WGARMWFYPQZGSS-UHFFFAOYSA-N- Molecular formula
- C17H19BrO6
- Average molar mass
- 399.2 g/mol
- Monoisotopic mass
- 398.0365
Names & identifiers
- Preferred name
- Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- methyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
- English name
- Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
- Molecular formula
- C17H19BrO6
- Molecular weight
- 399.23
Names & synonyms
315237-20-8methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylateMETHYL 6-BROMO-5-[2-(TERT-BUTOXY)-2-OXOETHOXY]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATECBMicro_002665Oprea1_178284CCG-4329SMSF0018519STK888037AKOS001616475CB04261methyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylateBIM-0002766.P001
Show more names
3-Benzofurancarboxylic acid, 6-bromo-5-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-2-methyl-, methyl ester
EU-0074271ST50038582SR-01000456949SR-01000456949-1F0821-0383methyl 6-bromo-5-(2-(tert-butoxy)-2-oxoethoxy)-2-methylbenzofuran-3-carboxylatetert-butyl 2-[6-bromo-3-(methoxycarbonyl)-2-methylbenzo[b]furan-5-yloxy]acetat e
Database identifiers
- CAS
315237-20-8
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 447 · 447.0±40.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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