2,6-Difluoro-4-(hydroxymethyl)phenol
Basic information
- CAS
206198-07-4- Standard SMILES
OCc1cc(F)c(O)c(F)c1- InChIKey
GKBXKARGOXJKOD-UHFFFAOYSA-N- Molecular formula
- C7H6F2O2
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03358575
Names & identifiers
- Preferred name
- 2,6-Difluoro-4-(hydroxymethyl)phenol
- IUPAC
- 2,6-difluoro-4-(hydroxymethyl)phenol
- English name
- Benzenemethanol, 3,5-difluoro-4-hydroxy- (9CI)
- Molecular formula
- C7H6F2O2
- Molecular weight
- 160.12
Names & synonyms
206198-07-42,6-Difluoro-4-(hydroxymethyl)phenol3,5-Difluoro-4-hydroxybenzyl alcoholBenzenemethanol, 3,5-difluoro-4-hydroxy-MFCD067979313,5-Difluoro-4-hydroxybenezenemethanolBenzenemethanol, 3,5-difluoro-4-hydroxy- (9CI)SCHEMBL2642236SCHEMBL2642238DTXSID106214672,6-Difluoro-4-hydroxymethyl-phenolAKOS006286504
Show more names
FD66502SY207653DB-274122CS-0195279EN300-247229W17314F632581Z1198170710
Database identifiers
- CAS
206198-07-4- PubChem CID
- 22011189
- DTXSID
DTXSID10621467- EC Number
- 182-792-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 227.3 · 227.3±35.0 °C(Predicted)
- Density
- 1.454 · 1.454±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.25 · 7.25±0.23(Predicted)
- Appearance
- White to off-white Solid
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,5-Difluoro-4-hydroxybenezenemethanol is used to prepare bioluminiscent probes with sulfatase activity that can be used to study human and prokaryotic cells.
Suppliers
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Related reactions
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Compound notes
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