3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one

Modify Date: 2025-10-05 16:33:28

3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one Structure
3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one structure
Common Name 3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
CAS Number 42754-97-2 Molecular Weight 170.55700
Density 2.09g/cm3 Boiling Point 312.1ºC at 760 mmHg
Molecular Formula C5H3ClN4O Melting Point N/A
MSDS N/A Flash Point 142.6ºC

 Names

Name 6-chloro-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

 Chemical & Physical Properties

Density 2.09g/cm3
Boiling Point 312.1ºC at 760 mmHg
Molecular Formula C5H3ClN4O
Molecular Weight 170.55700
Flash Point 142.6ºC
Exact Mass 170.00000
PSA 74.43000
LogP 0.29960
Index of Refraction 1.91
InChIKey IHMWOTGINGMVHR-UHFFFAOYSA-N
SMILES O=c1[nH]c(Cl)nc2[nH]ncc12

 Safety Information

HS Code 2933990090

 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%
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