Basic information
- CAS
320-96-7- Standard SMILES
CCOC(=O)c1ccc(F)cc1C(=O)OCC- InChIKey
AHUYNJGTOFVLRF-UHFFFAOYSA-N- Molecular formula
- C12H13FO4
- Average molar mass
- 240.23 g/mol
- Monoisotopic mass
- 240.07978705
Names & identifiers
- Preferred name
- Phthalic acid, 4-fluoro-, diethyl ester
- IUPAC
- diethyl 4-fluorobenzene-1,2-dicarboxylate
- English name
- diethyl 4-fluorobenzene-1,2-dicarboxylate
- Molecular formula
- C12H13FO4
- Molecular weight
- 240.23
Names & synonyms
320-96-7Phthalic acid, 4-fluoro-, diethyl esterDTXSID50185831RefChem:371552DTXCID90108322diethyl 4-fluorophthalatediethyl 4-fluorobenzene-1,2-dicarboxylatediethyl4-fluorophthalateSCHEMBL4628672AKOS0050676001,2-Benzenedicarboxylic acid, 4-fluoro-, diethyl ester1,2-Diethyl 4-fluoro-1,2-benzenedicarboxylate
Show more names
1,2-Benzenedicarboxylic acid, 4-fluoro-, 1,2-diethyl ester
Database identifiers
- CAS
320-96-7- PubChem CID
- 136159
- DTXSID
DTXSID50185831
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 165 · 165-170 °C(Press: 24 Torr)
- Density
- 1.186 · 1.186±0.06 g/cm3(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
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
济南三志医药科技有限公司15053191807 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…