6-Fluorochromone-3-carboxylic acid
Basic information
- CAS
71346-17-3- Standard SMILES
O=C(O)c1coc2ccc(F)cc2c1=O- InChIKey
VBSNAYJWUMOGOP-UHFFFAOYSA-N- Molecular formula
- C10H5FO4
- Average molar mass
- 208.14 g/mol
- Monoisotopic mass
- 208.0171868
Names & identifiers
- Preferred name
- 6-Fluorochromone-3-carboxylic acid
- IUPAC
- 6-fluoro-4-oxochromene-3-carboxylic acid
- English name
- 6-Fluorochromone-3-carboxylic acid 97
- Molecular formula
- C10H5FO4
- Molecular weight
- 208.14
Names & synonyms
71346-17-36-Fluorochromone-3-carboxylic acidDTXSID20399266RefChem:308427DTXCID103501246-Fluoro-4-oxo-4H-chromene-3-carboxylic acid6-fluoro-4-oxochromene-3-carboxylic acidMFCD034245054H-1-Benzopyran-3-carboxylicacid, 6-fluoro-4-oxo-6-FLUOROCHROMONE-3-CARBOXYLIC ACID 976-fluoro-4-oxo-chromene-3-carboxylic AcidSCHEMBL4576015
Show more names
6-Fluorochromone-3-carboxylic acid 976-fluoro-4-oxo-1-benzopyran-3-carboxylic acid4H-1-Benzopyran-3-carboxylic acid, 6-fluoro-4-oxo-JRH-00509, 6-Fluorochromone-3-carboxylic acid, 97%
SBB012408AKOS015894382AT24397PS-66096-Fluorochromone-3-carboxylic acid 97%ST0722036-Fluorochromone-3-carboxylic acid, 97%DB-350476
Database identifiers
- CAS
71346-17-3- PubChem CID
- 4096045
- DTXSID
DTXSID20399266
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 234 · 234-238 °C(lit.)
- storage temp.
- Store at room temperature
- form
- crystalline solid
- color
- White to beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P271-P261
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 2932990090 · 2932990090
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
- wgk
- 3
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P271-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…