Basic information
- CAS
854519-97-4- Standard SMILES
OCc1cc(F)c(F)cc1CO- InChIKey
ZUGKYQRAGXKKTO-UHFFFAOYSA-N- Molecular formula
- C8H8F2O2
- Average molar mass
- 174.14 g/mol
- Monoisotopic mass
- 174.04923582
Names & identifiers
- Preferred name
- (4,5-Difluoro-1,2-phenylene)dimethanol
- IUPAC
- [4,5-difluoro-2-(hydroxymethyl)phenyl]methanol
- English name
- 4,5-Difluoro-1,2-benzenedimethanol
- Molecular formula
- C8H8F2O2
- Molecular weight
- 174.14
Names & synonyms
854519-97-4(4,5-DIFLUORO-1,2-PHENYLENE)DIMETHANOL4,5-DIFLUORO-1,2-BENZENEDIMETHANOL[4,5-DIFLUORO-2-(HYDROXYMETHYL)PHENYL]METHANOLMFCD086950284,5-Difluorobenzene-1,2-dimethanolSCHEMBL650981SCHEMBL30267640ZUGKYQRAGXKKTO-UHFFFAOYSA-NAKOS0002813671,2-dihydroxymethyl-4,5-difluorobenzeneSY453950
Show more names
1,2-Benzenedimethanol, 4,5-difluoro-(4,5-difluorobenzene-1,2-diyl)dimethanol
G69418F988938
Database identifiers
- CAS
854519-97-4- PubChem CID
- 16639482
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 288.2 · 288.2±35.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.24 · 13.24±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers17 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
阿里化学（常州）有限公司19941333411 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
8 records
Compound notes
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