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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1-(3-CHLOROPROPYL)THEOBROMINE
SPECS AE-848/07790041
1,7-DIMETHYLXANTHINE
4-Amino-5-imidazolecarboxamide hydrochloride
THEOBROMINE
4-AMINO-5-IMIDAZOLECARBOXAMIDE
7-METHYLXANTHINE
CAFFEINE
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