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Home> Encyclopedia > Hot Product Listed 5   > 5-Tetradecenedioicacid, (5Z)-
32809-16-8 structure

5-Tetradecenedioicacid, (5Z)-

Iupac Name:3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No.:32809-16-8
Molecular Weight:284.136
Molecular Formula:C24H20 (isomer)
Names and Identifiers
Synonyms

(5z)-tetradec-5-enedioic acid 5-tetradecenedioic acid, (5z)- cis-5-tetradecene dioic acid LP061022 SCHEMBL6706929 ZUAMFASDJCGODP-HYXAFXHYSA-N

Inchi
InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
InChkey
QXJKBPAVAHBARF-UHFFFAOYSA-N
Canonical Smiles
CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C
Properties
Melting Point
166-167℃
Boiling Point
789.2°Cat760mmHg
Refractive Index
1.643
HS Code
2921519012
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H332 Harmful if inhaled

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:284.136g/mol
  • Molecular Formula:C24H20
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:283.017
  • Monoisotopic Mass:283.017
  • Complexity:405
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.4A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAGAAAAAAAAAAAAGAAAAWAAAAA8QAAAAAAAAAABAAAAHgIAAAAADgqBkCAywIMAAACI ACVSUACCAAAhBwAAiAEAZogIIDLBk5GEIAhghCDIyAcdAwANgAAAAAKAAAAAAAAABQAAAAAAAAAA AA==
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  • Fax:
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  • Fax:+86 25 83190349
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  • Fax:86-411-82819612 82819606
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