Ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate
Basic information
- CAS
730949-95-8- Standard SMILES
CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1N- InChIKey
BJLLLDCVKCNFQN-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2NO2S
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 314.9887552
Names & identifiers
- Preferred name
- Ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate
- IUPAC
- ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate
- English name
- 3-Amino-5-(2,4-dichloro-phenyl)-thiophene-2-carboxylic acid ethyl ester
- Molecular formula
- C13H11Cl2NO2S
- Molecular weight
- 316.2
Names & synonyms
ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate730949-95-83-Amino-5-(2,4-dichloro-phenyl)-thiophene-2-carboxylic acid ethyl esterMFCD04621503DTXSID401190169SBB078082AKOS005136939CS-0220448EN300-06683G35909F643171Z56943470
Show more names
2-Thiophenecarboxylic acid, 3-amino-5-(2,4-dichlorophenyl)-, ethyl ester
ethyl3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylateEthyl 3-amino-5-(2,4-dichlorophenyl)-2-thiophenecarboxylate
Database identifiers
- CAS
730949-95-8- PubChem CID
- 2393560
- DTXSID
DTXSID401190169
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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