CAS 38582-73-9 2-(4-Nitrophenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl Free Radical

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Organic Radicals

2-(4-Nitrophenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl Free Radical

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Catalog Number

ACM38582739-1

Product Name

2-(4-Nitrophenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl Free Radical

Structure

CAS

38582-73-9

Category

Organic Radicals

Synonyms

4,5-Dihydro-4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1H-imidazol-1-yloxy-3-oxide Free Radical
4-Nitrophenylnitronyl Nitroxide Free Radical
p-NPNN Free Radical

Molecular Weight

278.29

Molecular Formula

C13H16N3O4

Canonical SMILES

CC1(C([N+](=C(N1[O])C2=CC=C(C=C2)[N+](=O)[O-])[O-])(C)C)C

InChI

InChI=1S/C13H16N3O4/c1-12(2)13(3,4)15(18)11(14(12)17)9-5-7-10(8-6-9)16(19)20/h5-8H,1-4H3

InChI Key

BVNMZQREQCFTOC-UHFFFAOYSA-N

Melting Point

139 °C

Purity

>97.0%(HPLC)

Appearance

Green to Dark green powder to crystal

Storage

Store under inert gas

Complexity

420

Covalently-Bonded Unit Count

Exact Mass

278.114081g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.

Heavy Atom Count

Log P

1.68 (LogP)

MDL Number

MFCD00191637

Monoisotopic Mass

278.114081g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P285 : In case of inadequate ventilation wear respiratory protection.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P272 : Contaminated work clothing must not be allowed out of the workplace.P342 + P311 : If experiencing respiratory symptoms: Call a POISON CENTER/doctor.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

Signal Word

Danger

XLogP3

1.1

MSDS

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COA

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Spec Sheet

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