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Home> Hot Product Listed P   > Phosphoramidothioicacid, (3-methoxypropyl)-, O,O-dipropyl ester (9CI)
13275-42-8 structure

Phosphoramidothioicacid, (3-methoxypropyl)-, O,O-dipropyl ester (9CI)

Iupac Name:2-(2-bromophenyl)-1H-benzimidazole
CAS No.:13275-42-8
EINECS(EC#): 242-522-3
Molecular Weight:273.133
Molecular Formula:C10H12CL3O4P (isomer)
Names and Identifiers
Synonyms

7-propoxy-2,8-dioxa-6-aza-7??-phosphaundecane-7-thione A834513 AC1L62AH AC1Q7FPJ DTXSID70301197 n-dipropoxyphosphinothioyl-3-methoxy-1-propanamine n-dipropoxyphosphinothioyl-3-methoxy-propan-1-amine n-dipropoxyphosphinothioyl-3-methoxypropan-1-amine NSC 141710 nsc141710 nsc-141710 o,o-dipropyl(3-methoxypropyl)phosphoramidothioate OR262398

Inchi
InChI=1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)
InChkey
KOXRUUGKLDCECO-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br
Properties
Vapour
3.61E-08mmHg at 25°C
Refractive Index
1.708
Safety and Handling
Risk Statements
22-37/38-41
Safety Statements
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br−.
Reach Info
Computational chemical data
  • Molecular Weight:273.133g/mol
  • Molecular Formula:C10H12CL3O4P
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.9
  • Exact Mass:271.995
  • Monoisotopic Mass:271.995
  • Complexity:246
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:28.7A^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: AAADccBzAAAAEAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHABQAAABrAiBHwAx0LbJkACg AyZiZACCgC2hEqQJmSAwdLiIaKLAmZGUIAhokALIyjcQgAAOAAAAAAAAgCAAAAAAAAEAQAAAAAAA AA==
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