2,4-Difluoronitrobenzene
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Basic information
- CAS
446-35-5- Standard SMILES
O=[N+]([O-])c1ccc(F)cc1F- InChIKey
RJXOVESYJFXCGI-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO2
- Average molar mass
- 159.09 g/mol
- Monoisotopic mass
- 159.01318478
Overview
standard antigen; structure
Names & identifiers
- Preferred name
- 2,4-Difluoronitrobenzene
- IUPAC
- 2,4-difluoro-1-nitrobenzene
- English name
- 2,4-Difluoronitrobenzene
- Molecular formula
- C6H3F2NO2
- Molecular weight
- 159.09
Names & synonyms
2,4-Difluoronitrobenzene446-35-51-Nitro-2,4-difluorobenzene1,3-Difluoro-4-nitrobenzeneBenzene, 2,4-difluoro-1-nitro-DTXSID00328696398Y1D7JSNSC-10259DTXCID8012869RefChem:443583207-167-02,4-Difluoro-1-nitrobenzene
Show more names
2.4 DFNB2,4-Difluoronitroben3,5-diflurobenzonitrile2,4-Difluronitrobenzene2,4-Difluoronitribenzene2,4-DIFLUORO NITROBENZENFlurbiprofen Impurity 241,3-Difluor-4-nitrobenzol
2,4-Difluoro-1-nitro-benzeneMFCD00007050MLS001055483SMR001227187EINECS 207-167-0NSC 10259BRN 2048034UNII-6398Y1D7JS
Database identifiers
- CAS
446-35-5- PubChem CID
- 67967
- DTXSID
DTXSID0032869- ChEMBL
CHEMBL31425- UNII
- 6398Y1D7JS
- EC Number
- 207-167-0
- Nikkaji
- J38.272H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 9 °C · 9 °C
- Boiling point
- 207 °C · 207 °C
- Density
- 1.45 · 1.45
- vapor density
- 1 · >1 (vs air)
- refractive index
- 1.51 · 1.51
- Flash point
- 90 °C · 90 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Light yellow to Brown
- Specific Gravity
- 1.45 · 1.45
- Water Solubility
- Insoluble in water.
- BRN
- 2048034 · 2048034
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents. Combustible.
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]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Flammable liquids - Category 4
Flammable liquids - Category 4
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ5730000
- ridadr
- UN 2810 6.1/PG 1
- hs_code
- 2904990090
- risk_code
- 25-36/37/38-23/24/25-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-45-36/37/39-23
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2,4-difluoro-1-nitro-: ACTIVE
Applications
Uses2,4-Difluoronitrobenzene has been used in the synthesis of 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction, (±)-horsfiline and resin-bound-2-arylaminobenzimidazoles.
Uses2,4-Difluoronitrobenzene has been used in the synthesis of:2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction(±)-horsfilineresin-bound 2-arylaminobenzimidazoles
Uses2,4-Difluoronitrobenzene has been used in the synthesis of: 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction; (±)-horsfiline; resin-bound 2-arylaminobenzimidazoles.2,4-Difluoronitrobenzene is a reactant in the preparation of 4-thiazolidinone derivatives as antimicrobial agents.
General DescriptionNucleophilic aromatic substitution of 2,4-difluoronitrobenzene with morpholine has been investigated using flow reactor with simulated moving bed (SMB) chromatography module.
Upstream & downstream products
Upstream raw materials
Related reactions
392 records
Compound notes
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