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8-Chlorotheophylline

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Basic information
Standard English name
Cas No. 85-18-7
Alias 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Canonical Smiles CN1C(=O)C2NC(Cl)=NC=2N(C)C1=O
MDL No. MFCD00005581
Exact Mass 214.02575
Smiles CN(C(N1C)=O)C2=C(NC(Cl)=N2)C1=O
Security information
Character
Storage Condition
Melting Point 290 °C (dec.)(lit.)
Boiling Point 455.0±55.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.8869 (rough estimate)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P301+P312a;P330;P501a;P264;P270;P301+P312+P330;P501
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InchiKey RYIGNEOBDRVTHA-UHFFFAOYSA-N
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