Basic information
- CAS
61338-95-2- Standard SMILES
O=Cc1ccc(O)c(O)c1F- InChIKey
OPJXZKBYNBTYPN-UHFFFAOYSA-N- Molecular formula
- C7H5FO3
- Average molar mass
- 156.11 g/mol
- Monoisotopic mass
- 156.02227224
Names & identifiers
- Preferred name
- 2-Fluoro-3,4-dihydroxybenzaldehyde
- IUPAC
- 2-fluoro-3,4-dihydroxybenzaldehyde
- English name
- Benzaldehyde, 2-fluoro-3,4-dihydroxy-
- Molecular formula
- C7H5FO3
- Molecular weight
- 156.11
Names & synonyms
2-Fluoro-3,4-dihydroxybenzaldehyde61338-95-2Benzaldehyde, 2-fluoro-3,4-dihydroxy-MFCD034114632-FLUORO-3,4-DIHYDROXY-BENZALDEHYDE2-fluoroprotocatechualdehydeSCHEMBL2333604SCHEMBL29951860DTXSID103439352-Fluoro-3,4-dihydroxybenzaldehyde #MB02737SY278079
Show more names
F72537
Database identifiers
- CAS
61338-95-2- PubChem CID
- 593362
- DTXSID
DTXSID10343935- Nikkaji
- J1.729.113K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 164 · 164-166 °C
- Boiling point
- 280.4 · 280.4±35.0 °C(Predicted)
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- pka
- 6.63 · 6.63±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽合诺生物科技有限公司18455579438
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
Loading…