HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloropyridine-3,4-diamine
NSC 143160 · oropyridine-3,4-diamine · 2-Chloropyridin-3,4-diamine · 2-Chloro-3,4-pyridinediamine · 2-Chloro-3,4-diaminopyridine · 3,4-Diamino-2-chloropyridine · 2-Chloro-3,4-pyridinediam... · 3,4-Pyridinediamine, 2-chloro-
Identifiers & Physical Properties
| CAS No. | 39217-08-8 |
|---|---|
| Molecular formula | C5H6ClN3 |
| Average molar mass | 143.57 g/mol |
| Monoisotopic mass | 143.0250249 g/mol |
| SMILES | Nc1ccnc(Cl)c1N |
| InChIKey | PWOIYBVEDIFBEO-UHFFFAOYSA-N |
| PubChem CID | 285736 |
| EC No. | 686-011-7 |
| DTXSID | DTXSID90301412 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 64.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 98 |
| Melting point | 158-163℃ |
| Boiling point | 381.3±37.0 °C(Predicted) |
| Density | 1.447±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | soluble in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 4.79±0.42(Predicted) |
| Color | Light yellow to Brown to Dark green |
| InChI | 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9) |
| InChIKey | PWOIYBVEDIFBEO-UHFFFAOYSA-N |
| SMILES | Nc1ccnc(Cl)c1N |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H317-H319 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-43-36-22 |
| Safety statements (S) | 26-37-36/37-24/25-36/37/39 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 3 |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1 |
| Packing group | Ⅲ |
| Customs code | 29333990 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Safety & Regulations
| GHS classification | DangerH301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 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. 3 (97.7%)Skin Sens. 1 (97.7%)Eye Irrit. 2A (100%) |
| Water hazard class (WGK) | 3 |
| UN transport number | 2811 |
| Customs code | 29333990 |
| Risk statements (R) | 36/37/38-43-36-22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-37-36/37-24/25-36/37/39 |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | Ⅲ |
| GHS hazard statements | H301-H317-H319 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Chloropyridine-3,4-diamine