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Home> Hot Product Listed S   > STK203251
84057-84-1 structure

STK203251

Iupac Name:6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CAS No.:84057-84-1
Molecular Weight:256.09
Molecular Formula:C19H24O3S (isomer)
Names and Identifiers
Synonyms

(4-amino-6-{[4-(3-chlorophenyl)piperazinyl]methyl}(1,3,5-triazin-2-yl))(4-meth ylphenyl)amine (4z)-6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-n-(4-methylphenyl)-1,3,5-triazine-2,4-diamine 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-n-(4-methylphenyl)-1,3,5-triazine-2,4-diamine 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-n2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine AC1LT38I AKOS001948671 AKOS005504316 MOLPORT-000-488-754 MOLPORT-000-807-073 n-(4-amino-6-{[4-(3-chlorophenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-n-(4-methylphenyl)amine ST50132744 STK580187 STOCK5S-46709 ZINC9015825

Inchi
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChkey
PYZRQGJRPPTADH-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
Properties
Melting Point
177-181℃
Safety and Handling
Risk Statements
R25
Safety Statements
45-36-26
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 2811 6
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 84057-84-1 EC: STK203251 ·ECHA C&L Inventory for CAS: CAS: 84057-84-1 EC: STK203251
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H301 Toxic if swallowed

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:256.09g/mol
  • Molecular Formula:C19H24O3S
  • Compound Is Canonicalized:True
  • Exact Mass:255.008
  • Monoisotopic Mass:255.008
  • Complexity:242
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:90.7A^2
  • Heavy Atom Count:16
  • 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: AAADcYBzgAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAIYAAAADAqBHiAxsJZIEACi AyZiZACShC8hFaAdmmAgVpiIaKLBmxGUoABwiAJIyCcQgIAOAAAAIAABAAQAAABAAAIACAAAAAAA AA==
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