HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4-methylpyrimidine
chloro-4-MethylpyriMidine · 2-Chloro-6-methylpyrimidine · 2-CHLORO-4-METHYLPYRIMIDINE · 2-Chloro-4-methyl-1,3-diazine · Pyrimidine, 2-chloro-4-methyl- · 2-CHLORO-4-METHYLPYRIMIDINE 98% · 2-Chloro-4-methylpyrimidine >2-Chloro-4-methylpyrimidine ISO 9001：2015 REACH · Pyrimidine, 2-chloro-4-methyl- (6CI,7CI,8CI,9CI)
Identifiers & Physical Properties
| CAS No. | 13036-57-2 |
|---|---|
| Molecular formula | C5H5ClN2 |
| Average molar mass | 128.56 g/mol |
| Monoisotopic mass | 128.01412584 g/mol |
| SMILES | Cc1ccnc(Cl)n1 |
| InChIKey | BHAKRVSCGILCEW-UHFFFAOYSA-N |
| PubChem CID | 11629607 |
| EC No. | 678-759-8 |
| DTXSID | DTXSID40469672 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 76.8 |
| Melting point | 35-36°C |
| Boiling point | 94°C/17mmHg(lit.) |
| Density | 1.234±0.06 g/cm3(Predicted) |
| Flash point | 98℃ |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform |
| Physical state | Solid |
| pKa (acidity coefficient) | -0.93±0.20(Predicted) |
| Color | Pale Yellow to Beige |
| Sensitivity | Moisture Sensitive |
| Stability | Toxic |
| InChI | InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3 |
| InChIKey | BHAKRVSCGILCEW-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(C)=N1 |
| CAS DataBase Reference | 13036-57-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 22-41-37/38 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | N |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Customs code | 29335990 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.DangerH302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.2%) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | N |
| Customs code | 29335990 |
| Risk statements (R) | 22-41-37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-39 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
2-Chloro-4-methylpyrimidine (cas# 13036-57-2) is a compound useful in organic synthesis.