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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Quinolinedione,7-chloro-6-[(3,4-dichlorophenyl)amino]-
149-87-1 structure

5,8-Quinolinedione,7-chloro-6-[(3,4-dichlorophenyl)amino]-

CAS No.:149-87-1
Molecular Weight:129.11398
Molecular Formula:C9H9NO (isomer)
Names and Identifiers
Synonyms

5,8-quinolinedione, 6-((n-2,3-dichlorophenyl)amino)-7-chloro- 7-chloro-6-(3,4-dichloroanilino)quinoline-5,8-dione DTXSID30163596 HE212232 RCK 11

Inchi
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChkey
ODHCTXKNWHHXJC-UHFFFAOYSA-N
Canonical Smiles
C1CC(=O)NC1C(=O)O
Isomers Smiles
C1CC(=O)N[C@@H]1C(=O)O
Properties
Density
1.194
Melting Point
180-185℃
Boiling Point
°Cat760mmHg
Vapour
1.79E-09mmHg at 25°C
Refractive Index
1.511
Flash Point
151.2°C
HS Code
29337900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:129.11398g/mol
  • Molecular Formula:C9H9NO
  • Exact Mass:129.042593
  • Monoisotopic Mass:129.042593
  • Complexity:154
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.4
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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