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4463-44-9

4463-44-9 structural image
Product Name: Xylene cyanol FF
Formula: C25H29N2NaO7S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Green powder; [Alfa Aesar MSDS] Dark red or dark blue crystalline powder; [Acros Organics MSDS]
Chemical Classes Dyes -> Di- and Triaryl Dyes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 554.6 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 554.11573783 g/mol
Monoisotopic Mass 554.11573783 g/mol
Topological Polar Surface Area 173 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1150
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes