2,6-Difluoro-4-nitrophenol
Basic information
- CAS
658-07-1- Standard SMILES
O=[N+]([O-])c1cc(F)c(O)c(F)c1- InChIKey
KVVXRISUSPIMLJ-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO3
- Average molar mass
- 175.09 g/mol
- Monoisotopic mass
- 175.00809928
Names & identifiers
- Preferred name
- 2,6-Difluoro-4-nitrophenol
- IUPAC
- 2,6-difluoro-4-nitrophenol
- English name
- 2,6-Difluoro-4-nitrophenol
- Molecular formula
- C6H3F2NO3
- Molecular weight
- 175.09
Names & synonyms
2,6-Difluoro-4-nitrophenol658-07-1DTXSID00344890RefChem:445548DTXCID102959652,6-Difluoro-4-nitro-phenolMFCD07366521Phenol, 2,6-difluoro-4-nitro-2.6-Difluoro-4-nitrophenol4-nitro-2,6-difluoro-phenolSCHEMBL11372222,6-Difluoro-4-nitrophenol #
Show more names
4-nitro-2,6-Difluorophenol2,6-Difluoro-4-nitrophenol 98%2,6-Difluoro-4-nitrophenol，GC，97%3,5-Difluoro-4-hydroxynitrobenzene
26-Difluoro-4-nitrophenolSBB064525AKOS006228826AC-7729CS-W006721GS-4096SY038662DB-050573
Database identifiers
- CAS
658-07-1- PubChem CID
- 600210
- DTXSID
DTXSID00344890- EC Number
- 106-912-6
- Nikkaji
- J1.295.793I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 99.7 · 99.7-100.7°C
- Boiling point
- 254.5 · 254.5±40.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- crystalline powder
- pka
- 4.28 · 4.28±0.44(Predicted)
- color
- Faint yellow
- InChI
- InChI=1S/C6H3F2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
- InChIKey
- KVVXRISUSPIMLJ-UHFFFAOYSA-N
- SMILES
- C1(O)=C(F)C=C([N+]([O-])=O)C=C1F
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P312
- Hazard Codes
- Xi
- HS Code
- 2908990000 · 2908990000
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2908990000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
11 records
Compound notes
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