2-Chloro-5-(5-formylfuran-2-yl)benzoic acid
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Basic information
- CAS
355142-36-8- Standard SMILES
O=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1- InChIKey
NVRSAJZMYULEFC-UHFFFAOYSA-N- Molecular formula
- C12H7ClO4
- Average molar mass
- 250.63 g/mol
- Monoisotopic mass
- 250.0032864
Names & identifiers
- Preferred name
- 2-Chloro-5-(5-formylfuran-2-yl)benzoic acid
- IUPAC
- 2-chloro-5-(5-formylfuran-2-yl)benzoic acid
- English name
- ASISCHEM R44416
- Molecular formula
- C12H7ClO4
- Molecular weight
- 250.63
Names & synonyms
355142-36-82-chloro-5-(5-formylfuran-2-yl)benzoic acidDTXSID00357965RefChem:258880DTXCID603090212-CHLORO-5-(5-FORMYL-2-FURYL)BENZOIC ACID2-Chloro-5-(5-formyl-furan-2-yl)-benzoic acidMFCD01136375CBMicro_027115ASISCHEM R44416CHEMBRDG-BB 5657063Cambridge id 5657063
Show more names
Benzoic acid, 2-chloro-5-(5-formyl-2-furanyl)-2-chloro-5-(5-formyl-2-furyl)benzoic acid(SALTDATA: FREE)
AKOS BB268Oprea1_673353Oprea1_691901SCHEMBL2556095NVRSAJZMYULEFC-UHFFFAOYSA-NFPA14236BBL004096GS4098
Database identifiers
- CAS
355142-36-8- PubChem CID
- 873154
- DTXSID
DTXSID00357965
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 474.4 · 474.4±45.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 2.67 · 2.67±0.25(Predicted)
- Appearance
- Light yellow to light brown Solid
- 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
- hazard_code
- Xn
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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