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3147-14-6

3147-14-6 structural image
Product Name: CALMAGITE
Formula: C17H14N2O5S
Synonyms: 1-(1-Hydroxy-4-methyl-2-phenylazo)-2-naphthol-4-sulfonic acid;3-Hydroxy-4-(2-hydroxy-5-methylphenylazo)naphthalene-1-sulfonic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Red solid; [Merck Index] Crystalline powder; [Alfa Aesar MSDS]
Chemical Classes Dyes -> Azo 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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 358.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 358.06234272 g/mol
Monoisotopic Mass 358.06234272 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 590
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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