Basic information
- Standard SMILES
Oc1c(F)cccc1F- InChIKey
CKKOVFGIBXCEIJ-UHFFFAOYSA-N- Molecular formula
- C6H4F2O
- Average molar mass
- 130.09 g/mol
- Monoisotopic mass
- 130.02302119
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,6-Difluorophenol
- IUPAC
- 2,6-difluorophenol
- English name
- 2,6-Difluorophenol
- Molecular formula
- C6H4F2O
- Molecular weight
- 130.09
Names & synonyms
2,6-Difluorophenol28177-48-2DTXSID00182456RefChem:83236DTXCID10104947248-884-9Phenol, 2,6-difluoro-MFCD000021582,6-Difluoro-phenol2.6-difluorophenol2,6-difluoro phenolFFP
Show more names
2,6-Difluorphenol2,6-Difluorophenol>2,6-Difluorophenol98%2,6-Difluorophenol 98%2,6-Difluorophenol, 95%2,6-DIFLUOROPHENOL: 96.5%2,6-Difluorophenol ISO 9001：2015 REACH2,6-Difluorophenol, 98%, for synthesis
EINECS 248-884-9SCHEMBL92712,6-Difluorophenol, 98%SCHEMBL331592SCHEMBL1035467SCHEMBL9993295CHEMBL1232721CKKOVFGIBXCEIJ-UHFFFAOYSA-
Database identifiers
- CAS
28177-48-2- PubChem CID
- 94392
- DTXSID
DTXSID00182456- ChEMBL
CHEMBL1232721- EC Number
- 248-884-9
- Nikkaji
- J236.192B
Properties
Computed structural properties
- XLogP
- 2
- 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
- 87.1
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP1.96
Physicochemical properties
- Melting point
- 38 · 38-41 °C (lit.)
- Boiling point
- 59 · 59-61 °C/17 mmHg (lit.)
- Density
- 1 · 1,27 g/cm3
- Flash point
- 138 °F · 138 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · ethanol: soluble50mg/mL, clear, colorless to light yellow
- form
- Crystalline Low Melting Solid
- pka
- 7.45 · 7.45±0.10(Predicted)
- color
- Colorless
- Water Solubility
- Slightly soluble in water. Soluble in ethanol.
- BRN
- 2043613 · 2043613
- Henry's Law Constant
- 7 · 7.0×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
- InChIKey
- CKKOVFGIBXCEIJ-UHFFFAOYSA-N
- SMILES
- C1(O)=C(F)C=CC=C1F
- CAS DataBase Reference
- 28177 · 28177-48-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,6-Difluorophenol(28177-48-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- F,Xi,Xn
- Risk Statements
- 11 · 11-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1325 · UN 1325 4.1/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Hazard Note
- Irritant
- HazardClass
- 4.1 · 4.1
- PackingGroup
- II
- HS Code
- 29081000 · 29081000
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 Kg · 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (98%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (98%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29081000
- risk_code
- 11-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H228-H315-H319-H335
- Limited Quantities
- 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Difluorophenol undergoes oxidative polymerization in the presence of the Fe-N,N-bis(salicylidene)ethylenediamine (salen) complex (catalyst) and hydrogen peroxide (oxidizing agent) to give poly(2,6-difluoro-1,4-phenylene oxide). It is also used as pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
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