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54375-47-2

54375-47-2 structural image
Product Name: CALCEIN BLUE
Formula: C15H15NO7
Synonyms: 4-Methylumbelliferone-8-methyliminodiacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White to pale yellow powder; [Acros Organics MSDS]
Chemical Classes Dyes -> Other 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 321.28 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 321.08485182 g/mol
Monoisotopic Mass 321.08485182 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 514
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