2-Fluoromuconic acid
Basic information
- CAS
10318-01-1- Standard SMILES
O=C(O)/C=C/C=C(\F)C(=O)O- InChIKey
PTYIDKBTGREHJW-UHFFFAOYSA-N- Molecular formula
- C6H5FO4
- Average molar mass
- 160.1 g/mol
- Monoisotopic mass
- 160.0171868
Names & identifiers
- Preferred name
- 2-Fluoromuconic acid
- IUPAC
- (2Z,4E)-2-fluorohexa-2,4-dienedioic acid
- English name
- 2-Fluoromuconic acid
- Molecular formula
- C6H5FO4
- Molecular weight
- 160.1
Names & synonyms
2-Fluoromuconic acid10318-01-12-Fluoro-2,4-hexadienedioic acidRefChem:4726392-fluorohexa-2,4-dienedioic acid2,4-Hexadienedioic acid, 2-fluoro-SCHEMBL26132293PTYIDKBTGREHJW-TZFCGSKZSA-N(2Z,4E)-2-Fluoro-2,4-hexadienedioic acid #EN300-19680939
Database identifiers
- CAS
10318-01-1- PubChem CID
- 5370481
- EC Number
- 855-455-5
- Nikkaji
- J113.019F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 319.7 · 319.7±27.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…