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Home> Hot Product Listed B   > Benzenesulfonic acid, 4-methyl-,(bicyclo[3.2.1]oct-6-en-3-ylmethylene)hydrazide, endo-
13986-53-3 structure

Benzenesulfonic acid, 4-methyl-,(bicyclo[3.2.1]oct-6-en-3-ylmethylene)hydrazide, endo-

Iupac Name:cobalt(2+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
CAS No.:13986-53-3
Molecular Weight:425.475
Molecular Formula:C23H19CLN2O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/2C11H20O2.Co/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;
InChkey
PPQGKVCRZSKSEK-ATMONBRVSA-L
Canonical Smiles
CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Co+2]
Properties
Melting Point
143℃
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

Response

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.

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

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:425.475g/mol
  • Molecular Formula:C23H19CLN2O4
  • Compound Is Canonicalized:True
  • Exact Mass:425.21
  • Monoisotopic Mass:425.21
  • Complexity:199
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADgSAgAACAAAAAACI AKBSAAAAAAAgIAAACAEAAEgAAAAAAAAAAAAAgAAIAQIAAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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