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2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide structure
2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide structure


Iupac Name:ytterbium(3+);trichloride
CAS No.:10361-91-8
Molecular Weight:279.399
1. Names and Identifiers
1.1 Name
1.2 Synonyms

2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide 2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide 6827-88-9 AC1NQLOL AKOS001779800 DTXSID80411337 MCULE-8667206107 MolPort-007-584-989 SR-01000547272 SR-01000547272-1 ZINC3660426

1.3 CAS No.
1.4 CID
1.5 Molecular Formula
C15H23N5·CLH (isomer)
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
2. 3D Conformer
3. Properties
3.1 Density
3.2 Melting Point
3.3 Boiling Point
735°C at 760 mmHg
3.4 Vapour
33900mmHg at 25°C
4. Safety and Handling
4.1 Risk Statements
4.2 Safety Statements
Poison by intraperitoneal route. Mildly toxic by ingestion. An experimental teratogen. A skin and eye irritant. When heated to decomposition it emits toxic fumes of Cl−. See also YTTERBIUM, RARE EARTHS, and CHLORIDES.
4.3 Hazard Note
H315; H319; H335

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


6. Computational chemical data
  • Molecular Weight:279.399g/mol
  • Molecular Formula:C15H23N5·CLH
  • Exact Mass:278.845416
  • Monoisotopic Mass:278.845416
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:4
  • 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
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