Basic information
- CAS
55462-54-9- Standard SMILES
O=C(O)c1ccc(-c2cccc(Cl)c2Cl)o1- InChIKey
BSMKDXIJGSTBNT-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2O3
- Average molar mass
- 257.07 g/mol
- Monoisotopic mass
- 255.9693994
Names & identifiers
- Preferred name
- 5-(2,3-Dichlorophenyl)furan-2-carboxylic acid
- IUPAC
- 5-(2,3-dichlorophenyl)furan-2-carboxylic acid
- English name
- 5-(2,3-Dichlorophenyl)-2-furoic acid
- Molecular formula
- C11H6Cl2O3
- Molecular weight
- 257.07
Names & synonyms
5-(2,3-dichlorophenyl)furan-2-carboxylic acid55462-54-9DTXSID00353008RefChem:299293DTXCID203040725-(2,3-dichlorophenyl)-2-furoic acidMFCD022217325-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acidAN-648/40879422SCHEMBL14825074KUC100885NFCA46254
Show more names
AKOS BB-7851ASISCHEM T31213ART-CHEM-BB B025329SPECS AN-648/40879422LABOTEST-BB LT013231655-(2,3-DICHLOROPHENYL)-FURAN-2-CARBOXYLIC ACID2-Furancarboxylic acid, 5-(2,3-dichlorophenyl)-
SBB058495STK390218AKOS000288792EBC-656421SB61890VS-09327DB-081470CS-0224558
Database identifiers
- CAS
55462-54-9- PubChem CID
- 736356
- DTXSID
DTXSID00353008- EC Number
- 188-083-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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