HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4,6-dimethylpyrimidine
NSC 49016 · AKOS BBS-00002114 · IFLAB-BB F2130-0005 · CHEMBRDG-BB 4900312 · 2-chloro-4,6-dimethyl-pyrimidin · 2-CHLORO-4,6-DIMETHYLPYRIMIDINE · 2-Chloro-3,5-dimethylpyrimidine · 4,6-DiMethyl-2-chloropyriMidine
Identifiers & Physical Properties
| CAS No. | 4472-44-0 |
|---|---|
| Molecular formula | C6H7ClN2 |
| Average molar mass | 142.58 g/mol |
| Monoisotopic mass | 142.0297759 g/mol |
| SMILES | Cc1cc(C)nc(Cl)n1 |
| InChIKey | RZVPFDOTMFYQHR-UHFFFAOYSA-N |
| PubChem CID | 20550 |
| EC No. | 624-997-2 |
| DTXSID | DTXSID90196284 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 87.1 |
| Chemical classes | Nitrogen Compounds -> Pyrimidines |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 34-36 |
| Boiling point | 212 °C |
| Density | 1,03g/cm |
| Refractive index | 1,428 |
| Flash point | 110℃ |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | Methanol |
| Physical state | Powder, Crystalline Powder or Low Melting Solid |
| pKa (acidity coefficient) | 0.09±0.30(Predicted) |
| Color | White to yellow |
| InChIKey | RZVPFDOTMFYQHR-UHFFFAOYSA-N |
| CAS DataBase Reference | 4472-44-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | XWF9HK9FMS |
| NIST Chemistry Reference | 2-Chloro-4,6-dimethylpyrimidine(4472-44-0) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H302-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 20/21/22-36/37/38-22 |
| Safety statements (S) | 26-36-37 |
| UN transport number | UN 2265 |
| RTECS number | UV8000000 |
| Hazard class | IRRITANT |
| Customs code | 29335990 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards summary | Causes convulsions and muscle weakness in intraperitoneal lethal-dose studies of mice[RTECS] An irritant[Matrix Scientific MSDS] See Pyrimidine. |
| Hazard Classes and Categories | Acute Tox. 4 (82.7%) |
| Adverse effects | Neurotoxin - Other CNS neurotoxin |
| RTECS number | UV8000000 |
| UN transport number | UN 2265 |
| Customs code | 29335990 |
| Risk statements (R) | 20/21/22-36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-37 |
| Hazard class | IRRITANT |
| GHS hazard statements | H335-H302-H315-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-Chloro-4,6-dimethylpyrimidine is a chlorinated pyrimidine with antiviral activity.