3147-14-6
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Red solid; [Merck Index] Crystalline powder; [Alfa Aesar MSDS] |
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Chemical Classes | Dyes -> Azo Dyes |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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 |