Basic information
- CAS
832739-89-6- Standard SMILES
Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)o1- InChIKey
OTZHOWDFRVZJIV-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 266.0345865
Names & identifiers
- Preferred name
- 5-[(4-Chloro-2-methylphenoxy)methyl]-2-furancarboxylic acid
- IUPAC
- 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-(4-Chloro-2-methyl-phenoxymethyl)-furan-2-carboxylic acid
- Molecular formula
- C13H11ClO4
- Molecular weight
- 266.68
Names & synonyms
832739-89-65-[(4-Chloro-2-methylphenoxy)methyl]-2-furancarboxylic acid5-((4-Chloro-2-methylphenoxy)methyl)-2-furancarboxylic acidRefChem:2991185-[(4-Chloro-2-methylphenoxy)methyl]-2-furoic acid5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylic acid5-((4-Chloro-2-methylphenoxy)methyl)furan-2-carboxylic acidMFCD034218792-furancarboxylic acid, 5-[(4-chloro-2-methylphenoxy)methyl]-5-[(4-chloro-2-methyl-phenoxy)methyl]furan-2-carboxylic AcidDTXSID101189573ALBB-018002
Show more names
AKOS B013412AKOS MSC-0569ART-CHEM-BB B013412
5-(4-CHLORO-2-METHYL-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACIDSBB020757STK263716AKOS000263491SB61322LS-05946CS-0280601EN300-83628
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 431 · 431.0±45.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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