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      Home> Encyclopedia >   /  Catalyst and Auxiliary  /  Inorganic Chemicals  /  Organic Intermediates  /  Organic Intermediates  /  Organic Intermediates
      8001-54-5 structure

      6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one,9-methoxy-

      CAS No.:8001-54-5
      Molecular Weight:339.98612
      Molecular Formula:C28H33FN2O7 (isomer)
      1. Names and Identifiers
      1.1 Synonyms

      9-Methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one 9-Methoxycanthin-6-one

      1.2 Inchi
      InChI=1/C22H40N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-23(2,3)22-19-16-15-17-20-22;;/h15-17,19-20H,4-14,18,21H2,1-3H3;1H;1H2/q+1;;/p-1
      1.4 Canonical Smiles
      CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
      2. Safety and Handling
      2.1 Risk Statements
      R21/22;R34;R50
      2.2 Safety Statements
      S36/37/39;S45;S61
      2.3 Transport
      UN 2923
      3. MSDS

      2.Hazard identification

      2.1 Classification of the substance or mixture

      Acute toxicity - Oral, Category 4

      Acute toxicity - Dermal, Category 4

      Skin corrosion, Category 1B

      Acute toxicity - Inhalation, Category 4

      2.2 GHS label elements, including precautionary statements

      Pictogram(s)
      Signal word

      Danger

      Hazard statement(s)

      H302 Harmful if swallowed

      H312 Harmful in contact with skin

      H314 Causes severe skin burns and eye damage

      H332 Harmful if inhaled

      Precautionary statement(s)
      Prevention

      P264 Wash ... thoroughly after handling.

      P270 Do not eat, drink or smoke when using this product.

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

      P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

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

      Response

      P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

      P330 Rinse mouth.

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

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

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

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

      P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

      P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

      P363 Wash contaminated clothing before reuse.

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

      P310 Immediately call a POISON CENTER/doctor/\u2026

      P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

      Storage

      P405 Store locked up.

      Disposal

      P501 Dispose of contents/container to ...

      2.3 Other hazards which do not result in classification

      none

      4. Computational chemical data
      • Molecular Weight:339.98612g/mol
      • Molecular Formula:C28H33FN2O7
      • Exact Mass:339.269278
      • Monoisotopic Mass:339.269278
      • Complexity:240
      • Rotatable Bond Count:13
      • Hydrogen Bond Donor Count:0
      • Hydrogen Bond Acceptor Count:1
      • Topological Polar Surface Area:0
      • Heavy Atom Count:23
      • 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:2
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