1-(3-Chloropropyl)theobromine

Modify Date: 2024-01-03 11:57:48

1-(3-Chloropropyl)theobromine Structure
1-(3-Chloropropyl)theobromine structure
 Common Name 1-(3-Chloropropyl)theobromine
CAS Number 74409-52-2 Molecular Weight 256.689
Density 1.5±0.1 g/cm3 Boiling Point 478.2±51.0 °C at 760 mmHg
Molecular Formula C10H13ClN4O2 Melting Point 145ºC
MSDS N/A Flash Point 243.0±30.4 °C

 Names

Name 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Synonym More Synonyms

 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

 Safety Information

Hazard Codes Xi
Safety Phrases S22-S24/25
HS Code 2933990090

 Synthetic Route

Theobromine structure

Theobromine

CAS#:83-67-0

1-Bromo-3-chloropropane structure

1-Bromo-3-chlor...

CAS#:109-70-6

~75%

1-(3-Chloropropyl)theobromine Structure

1-(3-Chloroprop...

CAS#:74409-52-2

Literature: Zlatkov; Peikov; Rodriguez-Alvarez; Danchev; Nikolova; Mitkov European Journal of Medicinal Chemistry, 2000 , vol. 35, # 10 p. 941 - 948
Theobromine structure

Theobromine

CAS#:83-67-0

1,3-Dichloropropane structure

1,3-Dichloropropane

CAS#:142-28-9

~93%

1-(3-Chloropropyl)theobromine Structure

1-(3-Chloroprop...

CAS#:74409-52-2

Literature: Kalcheva, Veneta B.; Apostolova, Tatiana M.; Anakieva, Violeta Z. Journal fuer Praktische Chemie (Leipzig), 1985 , vol. 327, # 1 p. 165 - 168

 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%

 Synonyms

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
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