Basic information
- CAS
4780-64-7- Standard SMILES
Cc1cc(C(=O)O)c(O)cc1O- InChIKey
YLRJQJWRABXQKQ-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- beta-Resorcylic acid, 5-methyl-
- IUPAC
- 2,4-dihydroxy-5-methylbenzoic acid
- English name
- 2,4-Dihydroxy-5-methylbenzoic acid
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
2,4-Dihydroxy-5-methylbenzoic acid4780-64-75-Methyl-beta-resorcylic acidbeta-Resorcylic acid, 5-methyl-BRN 2641488DTXSID701972944-10-00-01533 (Beilstein Handbook Reference)RefChem:329102DTXCID801197852,4-dihydroxy-5-methyl-benzoic acid2,4-DIHYDROXY-5-METHYLBENZOICACIDSCHEMBL4893830
Show more names
Benzoic acid, 2,4-dihydroxy-5-methyl-
AKOS006277915FD66662
Database identifiers
- CAS
4780-64-7- PubChem CID
- 199705
- DTXSID
DTXSID70197294- Nikkaji
- J90.500C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 398.3 · 398.3±22.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±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
Applications
Uses2,4-Dihydroxy-5-methylbenzoic acid is a useful reagent in the preparation of substituted dihydroxybenzoic acids which are potential antiinflammatory agents.
Suppliers3 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
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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