HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-Dichloro-2-fluoroaniline
4,5-Dichloro-2-fluoroaniline · 3,4-Dichloro-6-fluoroaniline · 3,4-Dichloro-6-fluoroaniline,96% · Benzenamine, 4,5-dichloro-2-fluoro- · 4,5-dichloro-2-fluoroaniline hydrochloride
Identifiers & Physical Properties
| CAS No. | 2729-36-4 |
|---|---|
| Molecular formula | C6H4Cl2FN |
| Average molar mass | 180 g/mol |
| Monoisotopic mass | 178.97048271 g/mol |
| SMILES | Nc1cc(Cl)c(Cl)cc1F |
| InChIKey | FHJVHVKVTUTGTA-UHFFFAOYSA-N |
| PubChem CID | 223091 |
| EC No. | 860-334-5 |
| DTXSID | DTXSID20278840 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 122 |
| Boiling point | 251.8±35.0 °C(Predicted) |
| Density | 1.502±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (acidity coefficient) | 1.51±0.10(Predicted) |
| Appearance | Off-white to gray Solid |
| GHS pictogram | GHS06 |
| Signal word | Warning |
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
| Hazard class | 6.1 |
| Customs code | 2921420090 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 2921420090 |
| Signal word | Warning |
| GHS pictogram | GHS06 |
| Hazard class | 6.1 |
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
3,4-Dichloro-6-fluoroaniline is used as pharmaceutical intermediates