Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
Basic information
- CAS
730951-36-7- Standard SMILES
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCl- InChIKey
DNNFQRZAVJIYQW-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO3S
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.0382922
Names & identifiers
- Preferred name
- Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
- IUPAC
- ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate
Names & synonyms
ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylateEthyl 3-[(2-chloroacetyl)amino]-5-phenyl-2-thiophenecarboxylateEthyl 3-((2-chloroacetyl)amino)-5-phenyl-2-thiophenecarboxylateRefChem:594629999-714-1730951-36-73-(2-Chloro-acetylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl esterethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylateDTXSID701174344FEB95136SBB078071AKOS000122325
Show more names
CS-0220269EN300-06223G30221Z56943782ethyl3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylateethyl 3-(2-chloroacetylamino)-5-phenylthiophene-2-carboxylateethyl 3-[(2-chloroacetyl)amino]-5-phenyl-thiophene-2-carboxylate
Database identifiers
- CAS
730951-36-7- PubChem CID
- 2394023
- DTXSID
DTXSID701174344- EC Number
- 999-714-1
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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