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Home> Hot Product Listed 1   > 1-Propanone,1-[10-[3-(dimethylamino)propyl]-10H-phenoselenazin-2-yl]-
68786-66-3 structure

1-Propanone,1-[10-[3-(dimethylamino)propyl]-10H-phenoselenazin-2-yl]-

Iupac Name:6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
CAS No.:68786-66-3
Molecular Weight:359.649
Molecular Formula:C6H11O2P (isomer)
Names and Identifiers
Synonyms

1-Propanone,1-[10-[3-(dimethylamino)propyl]phenoselenazin-2-yl]- (7CI,8CI)

Inchi
InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChkey
NQPDXQQQCQDHHW-UHFFFAOYSA-N
Canonical Smiles
CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
Properties
Melting Point
175 - 176oC
Refractive Index
1.724
Flash Point
118.4°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Transport
HAZARD
Reach Info
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:359.649g/mol
  • Molecular Formula:C6H11O2P
  • Compound Is Canonicalized:True
  • Exact Mass:357.95
  • Monoisotopic Mass:357.95
  • Complexity:365
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2A^2
  • Heavy Atom Count:21
  • 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: AAADccBzIABGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgYQAAAACA6BliCz1rbJlAig ASRiZACC2i3hN+AJm2A2f5iMbqPFu5uWOCju0BtI6CewUAMAAEBAAwIACCQAgIAGBAAQSAAAAAAA AA==
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