1-(3-Chloropropyl)theobromine

Names

[ Name ]:
1-(3-Chloropropyl)theobromine

[Synonym ]:
1H-Purine-2,6-dione, 1-(3-chloropropyl)-3,7-dihydro-3,7-dimethyl-
1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione
1-(3-Chloropropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-(3-Chloropropyl)theobromine

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
478.2±51.0 °C at 760 mmHg

[ Melting Point ]:
145ºC

[ Molecular Formula ]:
C₁₀H₁₃ClN₄O₂

[ Molecular Weight ]:
256.689

[ Flash Point ]:
243.0±30.4 °C

[ Exact Mass ]:
256.072693

[ PSA ]:
61.82000

[ LogP ]:
0.86

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.653

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S22-S24/25

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%