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Home> Hot Product Listed T   > T6753580
3591-42-2 structure

T6753580

Iupac Name:(2,2-dichloro-1-methylcyclopropyl)benzene
CAS No.:3591-42-2
Molecular Weight:201.09
Molecular Formula:C18H14N2O5 (isomer)
Names and Identifiers
Synonyms

MCULE-4755116258 methyl 1-{1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl}piperidine-4-carboxylate MOLPORT-009-032-422 Z44442709

Inchi
InChI=1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChkey
NXYPRVQXSWVEOB-UHFFFAOYSA-N
Canonical Smiles
CC1(CC1(Cl)Cl)C2=CC=CC=C2
Properties
Refractive Index
1.54-1.542
Safety and Handling
Safety Statements
S24/25
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:201.09g/mol
  • Molecular Formula:C18H14N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:200.016
  • Monoisotopic Mass:200.016
  • Complexity:182
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:12
  • 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: AAADccBwAAAGAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAGAIAAAAADgKAGIAyAIAAAACA AiBCAAACAAAgAAAIiAAAAogIICKBERCAIAAggAAIiAcAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0571-83715115
  • Fax:0571-83715335
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+31 (0)20 611 31 33
  • Fax:+31 (0)20 613 75 96
 
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