Diethyl 5-{[(2-bromo-4-methylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
Basic information
- CAS
301693-51-6- Standard SMILES
CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2Br)c(C(=O)OCC)c1C- InChIKey
MBLMBLLTEUHDRE-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO6S
- Average molar mass
- 484.4 g/mol
- Monoisotopic mass
- 483.03512
Names & identifiers
- Preferred name
- Diethyl 5-{[(2-bromo-4-methylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
- IUPAC
- diethyl 5-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
- English name
- diethyl 5-{[(2-bromo-4-methylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
- Molecular formula
- C20H22BrNO6S
- Molecular weight
- 484.36
Names & synonyms
301693-51-62,4-Diethyl 5-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methyl-2,4-thiophenedicarboxylatediethyl 5-{[(2-bromo-4-methylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylateDiethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylateDTXSID901119720AKOS000536363diethyl 5-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylateST50008304AF-399/12445015SR-01000419516SR-01000419516-1DIETHYL 5-(((2-BR-4-METHYLPHENOXY)AC)AMINO)-3-METHYL-2,4-THIOPHENEDICARBOXYLATE
Show more names
2,4-Thiophenedicarboxylic acid, 5-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methyl-, 2,4-diethyl ester
ethyl 2-[2-(2-bromo-4-methylphenoxy)acetylamino]-5-(ethoxycarbonyl)-4-methylth iophene-3-carboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Boiling point
- 614.9 · 614.9±55.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- 11.86 · 11.86±0.70(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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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