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Home> Hot Product Listed Z   > ZINC49410132
6627-69-6 structure

ZINC49410132

Iupac Name:butyl 2-oxocyclopentane-1-carboxylate
CAS No.:6627-69-6
Molecular Weight:184.235
Molecular Formula:C15H18CLN3O2 (isomer)
Names and Identifiers
Synonyms

5-(1,3-benzodioxol-5-yl)-3-[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]-1,2,4-oxadiazole 5-(benzo[d][1,3]dioxol-5-yl)-3-(1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl)-1,2,4-oxadiazole AKOS021944721 F3406-9242 MCULE-1444711698 MOLPORT-009-717-945 VU0625461-1

Inchi
InChI=1S/C10H16O3/c1-2-3-7-13-10(12)8-5-4-6-9(8)11/h8H,2-7H2,1H3
InChkey
QYSLBQOEWQZYPF-UHFFFAOYSA-N
Canonical Smiles
CCCCOC(=O)C1CCCC1=O
Properties
Refractive Index
1.469
HS Code
2918300090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:184.235g/mol
  • Molecular Formula:C15H18CLN3O2
  • Compound Is Canonicalized:True
  • Exact Mass:184.11
  • Monoisotopic Mass:184.11
  • Complexity:198
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:13
  • 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
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Recommended Suppliers
  • Tel:+49-9402-9336 0
  • Fax:+49-9402-933 613
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+(44) 1492 539 645
  • Fax:+(44) 1492 539 645
 
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