Ethyl 2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylate
Basic information
- CAS
77261-21-3- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCl- InChIKey
IWUYJPUGLVYKIK-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO3S
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.0382922
Names & identifiers
- Preferred name
- Ethyl 2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylate
- English name
- 2-(2-CHLORO-ACETYLAMINO)-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C15H14ClNO3S
- Molecular weight
- 323.79
Names & synonyms
77261-21-3ethyl 2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylateDTXSID40350399RefChem:593693DTXCID40301467684-661-6ethyl 2-[(chloroacetyl)amino]-4-phenylthiophene-3-carboxylateMFCD002283262-(2-Chloro-acetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl esterethyl 2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylateethyl 2-[(2-chloroacetyl)amino]-4-phenyl-thiophene-3-carboxylateALBB-002244
Show more names
Ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-3-thiophenecarboxylateethyl 2-(2-chloroethanoylamino)-4-phenyl-thiophene-3-carboxylateEthyl 2-(2-chloro-acetcarboxcarboxcarboxamido)-4-phenylthiophen-3-carboxylate2-[(2-chloro-1-oxoethyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
BBL013541SBB009258STK297855AKOS000115064SY131949VS-03858EN300-01494G32678
Database identifiers
- CAS
77261-21-3- PubChem CID
- 677989
- DTXSID
DTXSID40350399- EC Number
- 684-661-6
Properties
Computed structural properties
- XLogP
- 4.1
- 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
Physicochemical properties
- Melting point
- 101 °C · 101 °C(Solv: ethanol (64-17-5))
- Boiling point
- 510.4 · 510.4±50.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 11.92 · 11.92±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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