2,3-Difluorophenol
Basic information
- CAS
6418-38-8- Standard SMILES
Oc1cccc(F)c1F- InChIKey
RPEPGIOVXBBUMJ-UHFFFAOYSA-N- Molecular formula
- C6H4F2O
- Average molar mass
- 130.09 g/mol
- Monoisotopic mass
- 130.02302107
Names & identifiers
- Preferred name
- 2,3-Difluorophenol
- IUPAC
- 2,3-difluorophenol
- English name
- 2,3-Difluorophenol
- Molecular formula
- C6H4F2O
- Molecular weight
- 130.09
Names & synonyms
2,3-DifluorophenolPhenol, 2,3-difluoro-RPEPGIOVXBBUMJ-UHFFFAOYSA-DTXSID40214381RefChem:81648DTXCID40136872628-249-6InChI=1/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9HRPEPGIOVXBBUMJ-UHFFFAOYSA-N6418-38-8Phenol, difluoro-2,3-difluoro-phenol
Show more names
3-Difluorophenol2,3-Difluorophenole2,3-Difluorophenol>2,3-Difluorophenol 98%2,3-Difluorophenol,98+%2,3-Difluorophenol ,99%2,3- twodifluoro phenol
difluorophenol2,3-Bis(Fluoranyl)phenolMFCD00010262ZTNdifluoro-phenolSCHEMBL158392,3-Difluorophenol, 98%SCHEMBL330689
Database identifiers
- CAS
6418-38-8- PubChem CID
- 80879
- DTXSID
DTXSID40214381- EC Number
- 628-249-6
- Nikkaji
- J236.264C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 39 · 39-42 °C (lit.)
- Boiling point
- 54 °C/25 · 54 °C/25 mmHg (lit.)
- Density
- 1.2483 · 1.2483 (estimate)
- Flash point
- 134 °F · 134 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 7.71 · 7.71±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- BRN
- 2082265 · 2082265
- InChI
- InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChIKey
- RPEPGIOVXBBUMJ-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(F)=C1F
- CAS DataBase Reference
- 6418 · 6418-38-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
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
H226 (83.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (83.3%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29081000
- risk_code
- 11-22-36/37/38-34-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn,Xi,C
- hazard_note
- Irritant
- safety_code
- 26-45-36/37/39-16
- hazard_class
- 4.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
92 records
Compound notes
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