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Home> Hot Product Listed T   > T6442175
18706-22-4 structure

T6442175

Iupac Name:8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CAS No.:18706-22-4
Molecular Weight:247.60100
Molecular Formula:C20H18O (isomer)
Names and Identifiers
Synonyms

1-(3,4-dihydronaphthalene-2-sulfonyl)-4-(1-phenyl-1h-1,2,3,4-tetrazol-5-yl)piperazine MCULE-3218671202 MOLPORT-009-285-008 Z357951314 ZINC40072328

Inchi
InChI=1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
InChkey
SBVZSZNYPRWWNN-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F
Properties
Melting Point
138 °C
Vapour
0.0173mmHg at 25°C
Refractive Index
1.567
HS Code
2933499090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S36/37/39-S37/39
HazardClass
IRRITANT
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 18706-22-4 EC: T6442175 ·ECHA C&L Inventory for CAS: CAS: 18706-22-4 EC: T6442175
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:247.60100g/mol
  • Molecular Formula:C20H18O
  • Compound Is Canonicalized:True
  • Exact Mass:247.001
  • Monoisotopic Mass:247.001
  • Complexity:339
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:16
  • 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: AAADcYByIYAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwIQAAAADA6BmDAwwILAAACI AqRSQACCAAAlBwAIiAEARsgIIDrBl5HEIYhggADIyccYiICOAAAAIAACABAAAABAAAQAIAAAAAAA AA==
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