Basic information
- 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 properties
- 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 · 9-10 °C (lit.)
- Boiling point
- 203 · 203-204 °C (lit.)
- Density
- 1.451 g/mL · 1.451 g/mL at 25 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.511(lit.)
- Flash point
- 195 °F · 195 °F
- 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.
- InChI
- 1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
- InChIKey
- RJXOVESYJFXCGI-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(F)cc1F
- CAS DataBase Reference
- 446 · 446-35-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6398 Y1D7JS · 6398Y1D7JS
- NIST Chemistry Reference
- 2 · 2,4-Difluoronitrobenzene(446-35-5)
- EPA Substance Registry System
- 2 · 2,4-Difluoronitrobenzene (446-35-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,Xi,Xn
- Risk Statements
- 25 · 25-36/37/38-23/24/25-20/21/22
- Safety Statements
- 26 · 26-45-36/37/39-23
- RIDADR
- 2810 · UN 2810 6.1/PG 1
- WGK Germany
- 3 · 3
- RTECS
- 5730000 · CZ5730000
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29049090 · 29049090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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
- 29049090
- 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
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
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
Downstream products
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