2,4-Difluoronitrobenzene
2,4-DIFLUORO-1-NITROBENZENE · 2.4 DFNB · 2,4-Difluoronitroben · 3,5-diflurobenzonitrile · 2,4-Difluronitrobenzene · 2,4-Difluoronitribenzene · 2,4-DIFLUORO NITROBENZEN · 2,4-DIFLUORONITROBENZENE
Identifiers & Physical Properties
| CAS No. | 446-35-5 |
|---|---|
| Molecular formula | C6H3F2NO2 |
| Average molar mass | 159.09 g/mol |
| Monoisotopic mass | 159.01318478 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1F |
| InChIKey | RJXOVESYJFXCGI-UHFFFAOYSA-N |
| PubChem CID | 67967 |
| ChEMBL | CHEMBL31425 |
| EC No. | 207-167-0 |
| DTXSID | DTXSID0032869 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 45.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 159 |
| SpringerMaterials Properties | Optical coefficient |
| Melting point | 9-10 °C (lit.) |
| Boiling point | 203-204 °C (lit.) |
| Density | 1.451 g/mL at 25 °C (lit.) |
| Vapor density | >1 (vs air) |
| Refractive index | n20/D 1.511(lit.) |
| Flash point | 195 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | clear liquid |
| Color | Light yellow to Brown |
| Specific gravity | 1.45 |
| Solubility | Insoluble in water. |
| BRN | 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 | 446-35-5(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 6398Y1D7JS |
| NIST Chemistry Reference | 2,4-Difluoronitrobenzene(446-35-5) |
| EPA Substance Registry System | 2,4-Difluoronitrobenzene (446-35-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H315-H319-H335 |
| GHS precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T,Xi,Xn |
| Risk statements (R) | 25-36/37/38-23/24/25-20/21/22 |
| Safety statements (S) | 26-45-36/37/39-23 |
| UN transport number | UN 2810 6.1/PG 1 |
| Water hazard class (WGK) | 3 |
| RTECS number | CZ5730000 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29049090 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 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) |
Safety & Regulations
| GHS classification | DangerH301 (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.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%)Flammable liquids - Category 4 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | CZ5730000 |
| UN transport number | UN 2810 6.1/PG 1 |
| Customs code | 29049090 |
| Risk statements (R) | 25-36/37/38-23/24/25-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T,Xi,Xn |
| hazard_note | Irritant |
| Safety statements (S) | 26-45-36/37/39-23 |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| Target organs | Respiratory system |
| GHS 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) |
| GHS precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2,4-Difluoronitrobenzene has been used in the synthesis of 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction, (±)-horsfiline and resin-bound-2-arylaminobenzimidazoles.
Uses
2,4-Difluoronitrobenzene has been used in the synthesis of:2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction(±)-horsfilineresin-bound 2-arylaminobenzimidazoles
Uses
2,4-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 Description
Nucleophilic aromatic substitution of 2,4-difluoronitrobenzene with morpholine has been investigated using flow reactor with simulated moving bed (SMB) chromatography module.