HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-N,N-dimethylpyrimidin-4-amine
NSC 45769 · Benzoicacid,9-methoxy-,hydrazide · 2-CHLORO-4-DIMETHYLAMINOPYRIMIDINE · 3-Isoxazolecarboxaldehyde,7-methyl- · 2-chloro-4-(dimethylamino)-pyrimidin · 2-chloro-n,n-dimethyl-4-pyrimidinamine · (2-chloro-pyrimidin-4-yl)-dimethyl-amine · 4-Pyrimidinamine, 2-chloro-N,N-dimethyl-
Identifiers & Physical Properties
| CAS No. | 31058-81-8 |
|---|---|
| Molecular formula | C6H8ClN3 |
| Average molar mass | 157.6 g/mol |
| Monoisotopic mass | 157.04067494 g/mol |
| SMILES | CN(C)c1ccnc(Cl)n1 |
| InChIKey | MTEQLYDOCFPCAX-UHFFFAOYSA-N |
| PubChem CID | 95975 |
| EC No. | 250-450-9 |
| DTXSID | DTXSID6067593 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 29 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 107 |
| Melting point | 77-79°C |
| Boiling point | 284℃ |
| Density | 1.252 |
| Flash point | 125℃ |
| Storage conditions | Inert atmosphere,2-8°C |
| Solubility | Chloroform, Ethyl Acetate, Methanol |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.59±0.10(Predicted) |
| Color | White |
| FDA UNII | T2FQA7HF8L |
| EPA Substance Registry System | 4-Pyrimidinamine, 2-chloro-N,N-dimethyl- (31058-81-8) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22-43 |
| Safety statements (S) | 36/37 |
| TSCA inventory status | TSCA listed |
| Customs code | 2933599590 |
Safety & Regulations
| GHS classification | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA inventory status | TSCA listed |
| Customs code | 2933599590 |
| Risk statements (R) | 22-43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 36/37 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
2-Chloro-4-(N,N-dimethylamino)pyrimidine (cas# 31058-81-8) is a compound useful in organic synthesis.