HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4-fluoro-1-nitrobenzene
2-chloro-4-fluoro-1-nitrobenzene · 2-CHLORO-4-FLUORONITROBENZENE · 4-fluoro-2-chloronitrobenzene · 2-chloro-4-fluoronitrobenzenen · 1-Chloro-5-fluoro-2-nitroBenzene · 3-Chloro-1-fluoro-4-nitrobenzene · 2-Chloro-4-fluoronitrobenzene >2-CHLORO-4-FLUORONITROBENZENE 98% · Benzene, 2-chloro-4-fluoro-1-nitro-
Identifiers & Physical Properties
| CAS No. | 2106-50-5 |
|---|---|
| Molecular formula | C6H3ClFNO2 |
| Average molar mass | 175.54 g/mol |
| Monoisotopic mass | 174.98363424 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1Cl |
| InChIKey | KQOOFMWRLDRDAX-UHFFFAOYSA-N |
| PubChem CID | 75017 |
| EC No. | 218-286-2 |
| DTXSID | DTXSID60175288 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 45.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 161 |
| Melting point | 34-37°C |
| Boiling point | 71°C/2.3mmHg(lit.) |
| Density | 1.494±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | DMSO (Sparingly), Methanol (Slightly) |
| Physical state | Solid |
| Color | Light Yellow |
| InChI | InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H |
| InChIKey | KQOOFMWRLDRDAX-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=C(F)C=C1Cl |
| CAS DataBase Reference | 2106-50-5(CAS DataBase Reference) |
| FDA UNII | HZL4Q2H59S |
| GHS pictogram | GHS07,GHS06 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319-H302-H311 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P309-P310 |
| Hazard symbols | Xi |
| Risk statements (R) | 20/21/22-36/37/38-36/38-21/22 |
| Safety statements (S) | 26-36/37/39-36/37 |
| UN transport number | 2811 |
| Hazard Note | Irritant |
| Hazard class | 6.1 |
| Packing group | Ⅲ |
| Customs code | 29049090 |
Safety & Regulations
| GHS classification | DangerH301 (18.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (18.2%) |
| UN transport number | 2811 |
| Customs code | 29049090 |
| Risk statements (R) | 20/21/22-36/37/38-36/38-21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS06 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39-36/37 |
| Hazard class | 6.1 |
| Packing group | Ⅲ |
| GHS hazard statements | H302+H312+H332-H315-H319-H302-H311 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P309-P310 |
Applications & Uses
Uses
2-Chloro-4-fluoronitrobenzene is used in the synthesis of active pharmaceutical ingredients (APIs), particularly benzothiazole derivatives.