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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-
693-67-4 structure

5-Thiazoleacetic acid,2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-

Iupac Name:1-bromoundecane
CAS No.:693-67-4
Molecular Weight:235.209
Molecular Formula:C5H8N2O4 (isomer)
Names and Identifiers
Synonyms

2-(2-(3,4-Dichlorophenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid 2-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid 5-Thiazoleacetic acid, 2-(2-(3,4-dichlorophenyl)ethenyl)-4-(4-methylphenyl)- AC1O525Z LS-150727

Inchi
InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChkey
IKPSIIAXIDAQLG-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCBr
Properties
Melting Point
?9 °C(lit.)
Boiling Point
310°C(lit.)
Refractive Index
n20/D 1.457(lit.)
Flash Point
217.2°C
HS Code
2903399090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26 24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:235.209g/mol
  • Molecular Formula:C5H8N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.5
  • Exact Mass:234.098
  • Monoisotopic Mass:234.098
  • Complexity:71.4
  • Rotatable Bond Count:9
  • 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:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGABAAAABSACAAAACAAAAAAAA AAAAAAAAAAAAAAAAAAAAACAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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