5-Fluoro-2-furancarboxylic acid
Basic information
- CAS
377729-87-8- Standard SMILES
O=C(O)c1ccc(F)o1- InChIKey
SYEGQVXXGOEAMS-UHFFFAOYSA-N- Molecular formula
- C5H3FO3
- Average molar mass
- 130.07 g/mol
- Monoisotopic mass
- 130.00662212
Names & identifiers
- Preferred name
- 5-Fluoro-2-furancarboxylic acid
- IUPAC
- 5-fluorofuran-2-carboxylic acid
- English name
- 5-Fluoro-furan-2-carboxylic acid
- Molecular formula
- C5H3FO3
- Molecular weight
- 130.07
Names & synonyms
5-fluorofuran-2-carboxylic acid377729-87-85-Fluoro-2-furancarboxylic acidDTXSID001304794RefChem:535790DTXCID201734799828-852-62-Furancarboxylic acid, 5-fluoro-C5H3FO35-Fluoro-furan-2-carboxylic acidMFCD224214745-fluoro-2-furoic acid
Show more names
5-fluorofuran-2-carboxylicacidSCHEMBL12611367SYEGQVXXGOEAMS-UHFFFAOYSA-N5-fluoranylfuran-2-carboxylic acidCQA72987AKOS023768845AT35169EN300-125734
Database identifiers
- CAS
377729-87-8- PubChem CID
- 21363887
- DTXSID
DTXSID001304794- EC Number
- 828-852-6
- Nikkaji
- J2.994.141F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 218.9 · 218.9±20.0 °C(Predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
1 records
Compound notes
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