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Home> Hot Product Listed S   > SCHEMBL455953
5173-46-6 structure

SCHEMBL455953

CAS No.:5173-46-6
Molecular Weight:331.18668
Molecular Formula:C12H8N2 (isomer)
Names and Identifiers
Synonyms

1-iodo-2-methyl-4-phenylbenzene 4-iodo-3-methylbiphenyl AK261326 AKOS027289298

Inchi
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3
Canonical Smiles
C1=NC2=C(C(=N1)[SeH])N=CN2C3C(C(C(O3)CO)O)O
Properties
Melting Point
131-134°C
Refractive Index
1.575
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
Aceto France 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:331.18668g/mol
  • Molecular Formula:C12H8N2
  • Exact Mass:332.002377
  • Monoisotopic Mass:332.002377
  • Complexity:339
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:114
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-86820258
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:025-5216-2509
  • Fax:025-5216-2509
 
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