HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloro-4-fluoroaniline
3-CHLORO-4-FLUORO-PHENYLAMINE · 3-CHLORO-4-FLUOROBENZENAMINE · Fluorochloroaniline · NSC 10290 · 3-Chloro-4-flu · AKOS BBS-00003577 · Chloro-4-fluoroanil · 3-Chloro-4-fluoroani
Identifiers & Physical Properties
| CAS No. | 367-21-5 |
|---|---|
| Molecular formula | C6H5ClFN |
| Average molar mass | 145.56 g/mol |
| Monoisotopic mass | 145.009455 g/mol |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| PubChem CID | 9708 |
| EC No. | 206-682-8 |
| DTXSID | DTXSID0038754 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 99 |
| Melting point | 42-44 °C (lit.) |
| Boiling point | 227-228 °C (lit.) |
| Density | 1,226 g/cm3 |
| Bulk density | 1000kg/m3 |
| Vapor pressure | 0.01 hPa (20 °C) |
| Refractive index | 1,54-1,542 |
| Flash point | >230 °F |
| Storage conditions | Store below +30°C. |
| Solubility | 10g/l10 g/L (20 ºC) |
| pKa (acidity coefficient) | 3.60±0.10(Predicted) |
| Physical state | Crystalline Solid |
| Color | Beige to brown |
| pH | 7 (10g/l, H2O, 20℃) |
| BRN | 1562786 |
| Stability | Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates. May be air-sensitive. |
| InChI | 1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| CAS DataBase Reference | 367-21-5(CAS DataBase Reference) |
| FDA UNII | 7L63CC70UQ |
| EPA Substance Registry System | 3-Chloro-4-fluoroaniline (367-21-5) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS06,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H301+H311+H331-H373 |
| GHS precautionary statements | P260-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T,Xi,Xn |
| Risk statements (R) | 23/24/25-33-36/37/38-20/21/22 |
| Safety statements (S) | 36/37/39-45-26 |
| UN transport number | UN 2811 6.1/PG 2 |
| Water hazard class (WGK) | 2 |
| F | 9-23 |
| Hazard Note | Irritant/Toxic |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| Packing group | III |
| Customs code | 29214210 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Toxicity | LD50 orally in Rabbit: 506 mg/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (43%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (60.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]H318 (36.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (55.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H373 (60.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/246333-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (55.7%)Acute Tox. 4 (43%)Acute Tox. 3 (60.8%)Eye Dam. 1 (36.7%)STOT RE 2 (60.8%) |
| F | 9-23 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2811 6.1/PG 2 |
| Customs code | 29214210 |
| Toxicity | LD50 orally in Rabbit: 506 mg/kg |
| Risk statements (R) | 23/24/25-33-36/37/38-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS08 |
| Hazard symbols | T,Xi,Xn |
| hazard_note | Irritant/Toxic |
| Safety statements (S) | 36/37/39-45-26 |
| Hazard class | TOXICAcute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| GHS hazard statements | H301+H311+H331-H373 |
| REACH registrations | Active |
| GHS precautionary statements | P260-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 |
Applications & Uses
Uses
4-Fluoro-3-chloroaniline, is an organic Fluorinated building block used for the synthesis of pharmaceutical and biologically active compounds such as, novel 6-Fluorobenzothiazole-substituted pyrazole analogues, having antiinflammatory activity.
General Description
The exposure of workers to 3-chloro-4-fluoroaniline (CFA) was monitored by an HPLC method.