1-(3-CHLOROPROPYL)THEOBROMINE
- CAS NO.：74409-52-2
- Empirical Formula: C10H13ClN4O2
- Molecular Weight: 256.69
- MDL number: MFCD00059926
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-07-26 16:38:16
What is 1-(3-CHLOROPROPYL)THEOBROMINE?
The Uses of 1-(3-CHLOROPROPYL)THEOBROMINE
suzuki reaction
Properties of 1-(3-CHLOROPROPYL)THEOBROMINE
| Melting point: | 145°C |
| Boiling point: | 478.2±51.0 °C(Predicted) |
| Density | 1.45 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 0.47±0.70(Predicted) |
| color | White |
| Stability: | Moisture Sensitive |
| InChI | InChI=1S/C10H13ClN4O2/c1-13-6-12-8-7(13)9(16)15(5-3-4-11)10(17)14(8)2/h6H,3-5H2,1-2H3 |
Safety information for 1-(3-CHLOROPROPYL)THEOBROMINE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P501:Dispose of contents/container to..… |
Computed Descriptors for 1-(3-CHLOROPROPYL)THEOBROMINE
| InChIKey | JMOWKXFNJSTXBW-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(N(C)C(=O)N(CCCCl)C2=O)N=C1 |
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