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Home> Hot Product Listed A   > AKOS005201828
73987-37-8 structure

AKOS005201828

Iupac Name:ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
CAS No.:73987-37-8
Molecular Weight:251.67
Molecular Formula:C10H8O2 (isomer)
Names and Identifiers
Synonyms

3-tert-butyl-1-(2,4-difluorophenyl)-4,5-dihydro-1h-pyrazol-5-one

Inchi
InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChkey
CVTZGJPEFPRNNB-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Cl
Properties
Refractive Index
1.58
Safety and Handling
Risk Statements
36
Safety Statements
26
Hazard Note
H319
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 73987-37-8 EC: AKOS005201828 ·ECHA C&L Inventory for CAS: CAS: 73987-37-8 EC: AKOS005201828
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:251.67g/mol
  • Molecular Formula:C10H8O2
  • Compound Is Canonicalized:True
  • Exact Mass:251.035
  • Monoisotopic Mass:251.035
  • Complexity:367
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55.4A^2
  • Heavy Atom Count:17
  • 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: AAADccByMAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgIQAAAADA7hmCYyyILABACI AqTWSACCAAAlBQAIiIEIRsgIJD7Jt5HGIYhkoABI6ceY2aOeAAAAIAACABAAAABAAAQAIAAAAAAA AA==
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  • Fax:86-311-66600576
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  • Tel:+86-571-61710758,18968016640
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