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Home> Hot Product Listed F   > F5075-6027
6944-05-4 structure

F5075-6027

Iupac Name:4-methylbenzenesulfonate;nickel(2+)
CAS No.:6944-05-4
Molecular Weight:401.073
Molecular Formula:C16H14N2O2 (isomer)
Names and Identifiers
Synonyms

2-(2-fluorophenoxy)-n-(2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)propanamide AKOS024495368 MCULE-1674278799 MOLPORT-009-724-351 VU0633646-1

Inchi
InChI=1S/2C7H8O3S.Ni/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
InChkey
IDYLMOYUCOPIRT-UHFFFAOYSA-L
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ni+2]
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

Carcinogenicity, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:401.073g/mol
  • Molecular Formula:C16H14N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:399.959
  • Monoisotopic Mass:399.959
  • Complexity:193
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:131A^2
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccBwOABgAAAIAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAQAAAAADACAWAAyAYAAAAKA AiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgAAOEAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:650-278-9963
  • Fax:650-589-2786
 
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