Ethyl 2-(2-chloroacetamido)-5-ethylthiophene-3-carboxylate
Basic information
- CAS
219620-46-9- Standard SMILES
CCOC(=O)c1cc(CC)sc1NC(=O)CCl- InChIKey
NTUBLCKCUAPLJH-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO3S
- Average molar mass
- 275.75 g/mol
- Monoisotopic mass
- 275.0382922
Names & identifiers
- Preferred name
- Ethyl 2-(2-chloroacetamido)-5-ethylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-chloroacetyl)amino]-5-ethylthiophene-3-carboxylate
- English name
- 2-(2-Chloro-acetylamino)-5-ethyl-thiophene-3-carboxylic acid ethyl ester
- Molecular formula
- C11H14ClNO3S
- Molecular weight
- 275.75
Names & synonyms
219620-46-9ethyl 2-(2-chloroacetamido)-5-ethylthiophene-3-carboxylateRefChem:593696999-341-4ethyl 2-[(chloroacetyl)amino]-5-ethylthiophene-3-carboxylateMFCD00276468ethyl 2-[(2-chloroacetyl)amino]-5-ethylthiophene-3-carboxylateSCHEMBL13431203ALBB-002237STK445043AKOS000115582VS-06107
Show more names
IVK/9299522ZINC00095740AKOS B015587AKOS MSC-0481ART-CHEM-BB B015587ethyl 2-(2-chloroethanoylamino)-5-ethyl-thiophene-3-carboxylate2-(2-Chloro-acetylamino)-5-ethyl-thiophene-3-carboxylic acid ethyl ester3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-5-ethyl-, ethyl ester
CS-0307568ST50453718EN300-02048G19162Z56891258ethyl2-(2-chloroacetamido)-5-ethylthiophene-3-carboxylateethyl 2-(2-chloroacetylamino)-5-ethylthiophene-3-carboxylateethyl 2-[(2-chloroacetyl)amino]-5-ethyl-thiophene-3-carboxylate
Database identifiers
- CAS
219620-46-9- PubChem CID
- 707973
- EC Number
- 999-341-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 448.4 · 448.4±45.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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