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Home> Hot Product Listed F   > F2964-0813
1328-53-6 structure

F2964-0813

CAS No.:1328-53-6
Molecular Weight:1092.712
Molecular Formula:C17H14N4O4 (isomer)
Names and Identifiers
Synonyms

5-(3,4-dichlorophenyl)-2-(methylthio)-1-phenyl-1h-imidazole AKOS024476928 MCULE-6390003547 MOLPORT-009-697-670 ZINC44085355

Inchi
InChI=1S/C32HCl15N8.Cu/c33-3-1-2-4(12(35)11(3)34)26-48-25(2)49-27-5-6(14(37)20(43)19(42)13(5)36)29(51-27)53-31-9-10(18(41)24(47)23(46)17(9)40)32(55-31)54-30-8-7(28(50-26)52-30)15(38)21(44)22(45)16(8)39;/h1H;/q-2;+2
InChkey
GUYIZQZWDFCUTA-UHFFFAOYSA-N
Canonical Smiles
C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C([N-]6)N=C2[N-]3)C(=C(C(=C7Cl)Cl)Cl)Cl)C8=C5C(=C(C(=C8Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl)Cl)Cl)Cl.[Cu+2]
Safety and Handling
Safety Statements
24/25
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  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Colors & Effects GmbH 2016
Brenntag Colours Limited 2013
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2015
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:1092.712g/mol
  • Molecular Formula:C17H14N4O4
  • Compound Is Canonicalized:True
  • Exact Mass:1090.486
  • Monoisotopic Mass:1084.495
  • Complexity:1440
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:79.3A^2
  • Heavy Atom Count:56
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcQB/wAAHgAAEAAAAAAAAAAAAAWLFiwAwYMGAAAAAAFgB/gAAHAIAAAAADAKBGyAxsN4IEACg AiJiZACCgCkhBaABmmAgRpiIKOLBmpGEIAhogALIyCcQgIAOhAAQIACRAAQIACBAASIACAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:+86-592-6518630
  • Fax:+86-592-6518630
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-571-85232161
  • Fax:86-571-85134895
  • Tel:86-515-88789199
  • Fax:86-0515-88308991
  • Tel:+86-571-81957777 ( 8 lines)
  • Fax:+86-571-81957500
 
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