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Home> Hot Product Listed 4   > [4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
104030-54-8 structure

[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

Iupac Name:2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CAS No.:104030-54-8
Molecular Weight:334.665
Molecular Formula:C14H17FO3 (isomer)
Names and Identifiers
Synonyms

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid AKOS009075777 MCULE-3738146371 MOLPORT-011-951-411 Z1470261270

Inchi
InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)
InChkey
RXDMAYSSBPYBFW-UHFFFAOYSA-N
Canonical Smiles
CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl
Properties
Melting Point
152°
Vapour
2.24E-09mmHg at 25°C
Refractive Index
1.565
Safety and Handling
Risk Statements
R51/53
Safety Statements
S61
Transport
UN3077 9/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

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:334.665g/mol
  • Molecular Formula:C14H17FO3
  • Compound Is Canonicalized:True
  • Exact Mass:333.045
  • Monoisotopic Mass:333.045
  • Complexity:379
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByIAAGAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHgIQAAAADyrBmKQyAILAAACI AiFSEACCAAAgBQAIiIEIBogIIDKBkxGEIAhglgCIiAcYgIAPhAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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