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Home> Hot Product Listed B   > BAS 00458481
1003-18-5 structure

BAS 00458481

Iupac Name:1-chloro-2,3-dihydro-1$l^{5}-phosphole 1-oxide
CAS No.:1003-18-5
Molecular Weight:136.515
Molecular Formula:C25H21BRN2O4 (isomer)
Names and Identifiers
Synonyms

(5e)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione 5-(4-nitro-benzylidene)-3-p-tolyl-thiazolidine-2,4-dione 5-{4-nitrobenzylidene}-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione AC1LWKXC AG-690/36880054 AKOS000631169 MOLPORT-000-798-840 STOCK1S-54911 woaoypdmudroia-xntdxejssa-n ZINC4471701

Inchi
InChI=1S/C4H6ClOP/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChkey
HUSTZVJBPMIGEX-UHFFFAOYSA-N
Canonical Smiles
C1CP(=O)(C=C1)Cl
Properties
Vapour
0.00433mmHg at 25°C
Refractive Index
1.473
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1003-18-5 EC: BAS 00458481 ·ECHA C&L Inventory for CAS: CAS: 1003-18-5 EC: BAS 00458481
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:136.515g/mol
  • Molecular Formula:C25H21BRN2O4
  • Compound Is Canonicalized:True
  • Exact Mass:135.984
  • Monoisotopic Mass:135.984
  • Complexity:141
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgIAIEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAgAACAACACIAAAAAAAAACCA QCBCAAAAAAAgAAAIAAAAAAgAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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