HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-5-methoxypyrimidine
2-Chloro-5-methoxypyrimidine · PyriMidine,2-chloro-5-Methoxy- · 2-Chloro-5-methoxypyrimidine >2-Chloro-5-MethoxypyriMidine 97% · 2-CHLORO-5-(METHOXY-D3)PYRIMIDINE · 2-Chloro-5-methoxypyrimidine, 97%, · Pyrimidine, 2-chloro-5-methoxy- (8CI,9CI) · 2-Chloro-5-methoxypyrimidine ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 22536-65-8 |
|---|---|
| Molecular formula | C5H5ClN2O |
| Average molar mass | 144.56 g/mol |
| Monoisotopic mass | 144.00904046 g/mol |
| SMILES | COc1cnc(Cl)nc1 |
| InChIKey | RSUBGBZOMBTDTI-UHFFFAOYSA-N |
| PubChem CID | 589058 |
| EC No. | 636-584-4 |
| DTXSID | DTXSID60343329 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 35 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 83 |
| Melting point | 73-78℃ |
| Boiling point | 268.8±13.0 °C(Predicted) |
| Density | 1.292±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -1.26±0.22(Predicted) |
| Color | White to Almost white |
| InChI | InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3 |
| InChIKey | RSUBGBZOMBTDTI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(OC)C=N1 |
| CAS DataBase Reference | 22536-65-8(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 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 37/38-41 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
| Customs code | 29335990 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (93%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29335990 |
| Risk statements (R) | 37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
2-Chloro-5-methoxypyrimidine is used in the regioselective synthesis of aminoimidazopyrimidines with triflic anhydride and pyridine bases