HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenamine, 2-chloro-4-fluoro-
2-CHLORO-4-FLUOROBENZENAMINE · 2-Chloro-4-fluoro-phenylamine · 2-chloro-4-fluoroaniline hydrochloride · CHLOROFLUOROANILINE · TIMTEC-BB SBB004110 · 2-Chloro-4-fluoroani · 2-Chloro-4-fluoroniline · 2-Chloro-4-fuoroaniline
Identifiers & Physical Properties
| CAS No. | 2106-02-7 |
|---|---|
| Molecular formula | C6H5ClFN |
| Average molar mass | 145.56 g/mol |
| Monoisotopic mass | 145.009455 g/mol |
| SMILES | Nc1ccc(F)cc1Cl |
| InChIKey | XRAKCYJTJGTSMM-UHFFFAOYSA-N |
| PubChem CID | 75013 |
| ChEMBL | CHEMBL2323849 |
| EC No. | 218-282-0 |
| DTXSID | DTXSID5062182 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 99 |
| Boiling point | 192 °C (lit.) |
| Density | 1.219 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.554(lit.) |
| Flash point | 209 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 2.71±0.10(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Light yellow to Light orange |
| Specific gravity | 1.3111.219 |
| BRN | 2802559 |
| InChI | InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2 |
| InChIKey | XRAKCYJTJGTSMM-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C=C1Cl |
| CAS DataBase Reference | 2106-02-7(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenamine, 2-chloro-4-fluoro- (2106-02-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07,GHS06,GHS08 |
| Signal word | Warning |
| GHS hazard statements | H302-H311-H332-H373-H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P301+P312-P302+P352-P314-P501a |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,T,Xi |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39-36/37/39-36-24/25 |
| UN transport number | 2810 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Toxic |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29214200 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (12.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%)Acute Tox. 4 (89.6%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.6%)STOT RE 2 (12.5%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | 2810 |
| Customs code | 29214200 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS06,GHS08 |
| Hazard symbols | Xn,T,Xi |
| hazard_note | Toxic |
| Safety statements (S) | 26-37/39-36/37/39-36-24/25 |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H311-H332-H373-H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P301+P312-P302+P352-P314-P501a |
Applications & Uses
Uses
2-Chloro-4-fluoroaniline is used as pharmaceutical, pesticide, and liquid crystal material intermediates.