HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dichloropyridine
2,4-Dichlorpyridine · IFLAB-BB F2108-0071 · 2,4-DICHLOROPYRIDINE · Pyridine, 2,4-dichloro- · 2,4-Dichloropyridine>2,4 dicloropyridine 98% · 2,4-Dichloropyridine,97% · 2,4-Dichloropyridine 97% · 2,4-Dichloropyridine ,98%
Identifiers & Physical Properties
| CAS No. | 26452-80-2 |
|---|---|
| Molecular formula | C5H3Cl2N |
| Average molar mass | 147.99 g/mol |
| Monoisotopic mass | 146.96425446 g/mol |
| SMILES | Clc1ccnc(Cl)c1 |
| InChIKey | TYPVHTOETJVYIV-UHFFFAOYSA-N |
| PubChem CID | 33515 |
| EC No. | 247-717-7 |
| DTXSID | DTXSID20181047 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 76.8 |
| Melting point | -1 °C |
| Boiling point | 189-190 °C (lit.) 76-78 °C/23 mmHg (lit.) |
| Density | 1.37 |
| Refractive index | 1.55-1.554 |
| Flash point | 189-190°C |
| Storage conditions | Inert atmosphere,2-8°C |
| Solubility | Chloroform |
| Physical state | Yellow to Pale Orange Liquid |
| pKa (acidity coefficient) | 0.12±0.10(Predicted) |
| Color | Colorless to Red to Green |
| BRN | 108666 |
| InChI | InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H |
| InChIKey | TYPVHTOETJVYIV-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(Cl)=C1 |
| CAS DataBase Reference | 26452-80-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H317-H318 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T,Xi,Xn |
| Risk statements (R) | 25-38-41-43-36/37/38-20/22 |
| Safety statements (S) | 26-36/37/39-45-36 |
| UN transport number | 2810 |
| Water hazard class (WGK) | 3 |
| RTECS number | NC3410400 |
| Hazard Note | Harmful/Irritant |
| Hazard class | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1 |
| Packing group | III |
| Customs code | 29333990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | DangerH302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (93.8%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | NC3410400 |
| UN transport number | 2810 |
| Customs code | 29333990 |
| Risk statements (R) | 25-38-41-43-36/37/38-20/22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | T,Xi,Xn |
| hazard_note | Harmful/Irritant |
| Safety statements (S) | 26-36/37/39-45-36 |
| Hazard class | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| GHS hazard statements | H302-H315-H317-H318 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2,4-Dichloropyridine is a versatile reactant used in the preparation of host materials for light-emitting diodes with heterocyclic cores. Also used in the preparation of sulfonylated pyridines, pyrazine and quinoline via aromatic nucleophilic substitution of azines with sodium sulfinates.