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Home> Hot Product Listed 1   > [1,2,4]Triazino[3,4-f]purine-4,6,8(1H,7H,9H)-trione,3,7,9-trimethyl-
49562-28-9 structure

[1,2,4]Triazino[3,4-f]purine-4,6,8(1H,7H,9H)-trione,3,7,9-trimethyl-

Iupac Name:propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CAS No.:49562-28-9
Molecular Weight:360.83134
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

[1,2,4]Triazino[3,4-f]purine-4,6,8(1H,7H,9H)-trione, 3,7,9-trimethyl-

Inchi
InChI=1/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChkey
YMTINGFKWWXKFG-UHFFFAOYSA-N
Canonical Smiles
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
Properties
Density
0.938
Melting Point
80-81°C
Safety and Handling
Risk Statements
R22
Safety Statements
S36
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
cordenpharma chenove 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H373 May cause damage to organs through prolonged or repeated exposure

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:360.83134g/mol
  • Molecular Formula:
  • Exact Mass:360.112837
  • Monoisotopic Mass:360.112837
  • Complexity:458
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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