Basic information
- CAS
308295-39-8- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12- InChIKey
IYIUNHJYGUQUKB-UHFFFAOYSA-N- Molecular formula
- C19H14BrNO7
- Average molar mass
- 448.2 g/mol
- Monoisotopic mass
- 446.99536
Names & identifiers
- Preferred name
- Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
- English name
- 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 4-nitrobenzoate
- Molecular formula
- C19H14BrNO7
- Molecular weight
- 448.22
Names & synonyms
308295-39-86-bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 4-nitrobenzoateETHYL 6-BROMO-2-METHYL-5-(4-NITROBENZOYLOXY)-1-BENZOFURAN-3-CARBOXYLATEethyl 6-bromo-2-methyl-5-[(4-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylateETHYL 6-BROMO-2-METHYL-5-((4-NITROBENZOYL)OXY)-1-BENZOFURAN-3-CARBOXYLATECBMicro_002396ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylateOprea1_131148SMSF0018403STK887977AKOS001616567CB04293
Show more names
3-Benzofurancarboxylic acid, 6-bromo-2-methyl-5-[(4-nitrobenzoyl)oxy]-, ethyl ester
BIM-0002540.P001ST50038522F0821-0321ethyl 6-bromo-2-methyl-5-((4-nitrobenzoyl)oxy)benzofuran-3-carboxylateethyl 6-bromo-2-methyl-5-{[(4-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Boiling point
- 606.8 · 606.8±55.0 °C(Predicted)
- Density
- 1.553 · 1.553±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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 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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