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Home> Encyclopedia > Hot Product Listed 6   > 6H,8H-Isoquino[2,1-c][1,3]benzoxazin-6-one,9,13b-dihydro-4,11,12-trimethoxy-
15217-53-5 structure

6H,8H-Isoquino[2,1-c][1,3]benzoxazin-6-one,9,13b-dihydro-4,11,12-trimethoxy-

Iupac Name:1-ethyl-2H-tetrazole-5-thione
CAS No.:15217-53-5
Molecular Weight:130.169
Molecular Formula:C7H9N3O2 (isomer)
Names and Identifiers
Synonyms

6H,8H-Isoquino[2,1-c][1,3]benzoxazin-6-one, 9,13b-dihydro-4,11,12-trimethoxy-

Inchi
InChI=1S/C3H6N4S/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)
InChkey
JLQLTELAOKOFBV-UHFFFAOYSA-N
Canonical Smiles
CCN1C(=S)N=NN1
Properties
Density
2.175
Melting Point
43ºC
Vapour
7.4mmHg at 25°C
Refractive Index
1.737
HS Code
2933990090
Safety and Handling
Risk Statements
R34
Safety Statements
S26:Incaseofcontactwitheyes,rinseimmediatelywithplentyofwaterandseekmedicaladvice.;S36/37/39:Wearsuitableprotectiveclothing,glovesandeye/faceprotection.;S45:Incaseofaccidentofifyoufeelunwell,seekmedicaladviceimmediately(showthelabelwherepossible).;
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:130.169g/mol
  • Molecular Formula:C7H9N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:130.031
  • Monoisotopic Mass:130.031
  • Complexity:131
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:72.1A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBDgABAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAQYAAAAAADBAAQDAAICAAAG AAAAAAAAAAAAAAgUIAAIAACAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-431-81915458
  • Fax:0086-431-81915458
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+1-203-299-3220
  • Fax:+1-203-299-1355
  • Tel:301 987 1980
  • Fax:301 987 1981
  • Tel:82- 2 -783 - 8063
  • Fax:82 -2 - 3775 - 3073
  • Tel:+86-(21)-58953700
  • Fax:+86-(21)-58953701
 
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