HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-Difluoroaniline
2,5-DIFLUOROBENZENAMINE · Benzenamine, 2,5-difluoro- · Difluoroaniline3 · 2,5-Difluoranilin · 2,5-DIFLUOROANILINE · Aniline, 2,5-difluoro- · 2,5-Difluoroaniline,98% · 2,5-Difluoroaniline 98%
Identifiers & Physical Properties
| CAS No. | 367-30-6 |
|---|---|
| Molecular formula | C6H5F2N |
| Average molar mass | 129.11 g/mol |
| Monoisotopic mass | 129.03900549 g/mol |
| SMILES | Nc1cc(F)ccc1F |
| InChIKey | YNOOQIUSYGWMSS-UHFFFAOYSA-N |
| PubChem CID | 67775 |
| EC No. | 206-690-1 |
| DTXSID | DTXSID70190144 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 97 |
| Melting point | 11-13 °C (lit.) |
| Boiling point | 176-178 °C (lit.) |
| Density | 1.288 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.513(lit.) |
| Flash point | 156 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 2.19±0.10(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Yellow to Orange |
| Specific gravity | 1.29 |
| Solubility | Not miscible in water. |
| BRN | 2802549 |
| InChI | InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 |
| InChIKey | YNOOQIUSYGWMSS-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=CC=C1F |
| CAS DataBase Reference | 367-30-6(CAS DataBase Reference) |
| FDA UNII | 4JNJ8ZZ368 |
| NIST Chemistry Reference | Benzenamine, 2,5-difluoro-(367-30-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H317 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 28-36/37/39-26-36 |
| UN transport number | 2941 |
| Water hazard class (WGK) | 3 |
| F | 8-10-23 |
| Hazard Note | Irritant |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1 |
| Packing group | III |
| Customs code | 29214210 |
| Storage class | 10 - Combustible liquids |
| 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
| F | 8-10-23 |
|---|---|
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | 2941 |
| Customs code | 29214210 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 28-36/37/39-26-36 |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| GHS hazard statements | H302+H312+H332-H317 |
| 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 | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
Applications & Uses
Uses
2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.