Basic information
- CAS
5751-80-4- Standard SMILES
CCOC(=O)c1ccsc1- InChIKey
OYSLMAQEMAJMCL-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.0245005
Names & identifiers
- Preferred name
- 3-Thiophenecarboxylic acid, ethyl ester
- IUPAC
- ethyl thiophene-3-carboxylate
- English name
- Ethyl thiophene-3-carboxylate
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
5751-80-4Ethyl 3-thenoate3-Thiophenecarboxylic acid, ethyl esterDTXSID40206120RefChem:1068850DTXCID40128611227-275-1ethyl thiophene-3-carboxylateethyl 3-thiophenecarboxylateMFCD021792263-(Ethoxycarbonyl)thiopheneEthylthiophene-3-carboxylate
Show more names
THOO23-thenoateRARECHEM AL BI 0549ETHYL 3-THIENYLACETATEETHYL 3-THIOPHENEACETATEETHYL THIOPHENE-3-ACETATEThiophene -3-ethyl forMateEthyl thiophen-3-carboxylate
SCHEMBL827404GEO-03865AKOS009166447FS-36293-Thiophenecarboxylic acid ethyl esterEINECS 227-275-1A831476SCHEMBL128918
Database identifiers
- CAS
5751-80-4- PubChem CID
- 79824
- DTXSID
DTXSID40206120- EC Number
- 227-275-1
- Nikkaji
- J218.033B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
LogP2.32
Physicochemical properties
- Boiling point
- 97 · 97-98 °C (8 mmHg)
- Density
- 1.12 · 1.12
- refractive index
- 1.509 · 1.509-1.511
- Flash point
- 103 °C · 103 °C
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- Soluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25-23
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
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-23
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl thiophene-3-carboxylate is used as an intermediate in organic syntheses
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Related reactions
9 records
Compound notes
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