Basic information
- CAS
59962-89-9- Standard SMILES
CCOC(=O)c1cc2cc(Cl)ccc2o1- InChIKey
KTBFFSXNFOOSEH-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.02402183
Names & identifiers
- Preferred name
- Ethyl 5-chlorobenzofuran-2-carboxylate
- IUPAC
- ethyl 5-chloro-1-benzofuran-2-carboxylate
- English name
- 5-Chloro-benzofuran-2-carboxylic acid ethyl ester
- Molecular formula
- C11H9ClO3
- Molecular weight
- 224.64
Names & synonyms
Ethyl 5-chlorobenzofuran-2-carboxylate59962-89-9DTXSID00384059RefChem:344325DTXCID20335083ethyl 5-chloro-1-benzofuran-2-carboxylateMFCD002752735-Chloro-benzofuran-2-carboxylic acid ethyl esterMaybridge3_0002165-chloro-2-benzofurancarboxylic acid ethyl ester5-Chloro-benzofuran-2-carboxylic acid ethylester2-Benzofurancarboxylic acid, 5-chloro-, ethyl ester
Show more names
Ethyl 5-chlorobenzofuran-2-carboxylate ,97%Ethyl 5-chloro-benzofuran-2-carboxylic acid
SCHEMBL5023676KTBFFSXNFOOSEH-UHFFFAOYSA-NHMS1431J18AC6446ethyl-5-chloro-benzofuran carboxylateSTK137568AKOS000371654CCG-233538
Database identifiers
- CAS
59962-89-9- PubChem CID
- 2799299
- DTXSID
DTXSID00384059
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 308.471 · 308.471±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 29321900 · 29321900
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
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers31 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
Related reactions
3 records
Compound notes
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