CAS 2417-00-7 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone

NAVIGATION

3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone

PRICE INQUIRY

Catalog Number

ACM2417007-1

CAS Number

2417-00-7

Product Name

3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone

Structure

Category

Electronic Materials; Molecular Conductors

IUPAC Name

(4E)-2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one

Molecular Weight

324.46

Molecular Formula

C22H28O2

Canonical SMILES

CC1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H28O2/c1-13-9-15(11-17(19(13)23)21(3,4)5)16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12H,1-8H3/b16-15+

InChI Key

UTSXCYFVGSFPGR-FOCLMDBBSA-N

Melting Point

200 °C

Purity

>97.0%(HPLC)

Appearance

Orange to Brown to Dark purple powder to crystal

Storage

Store under inert gas

Complexity

698

Covalently-Bonded Unit Count

Exact Mass

324.20893g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD01310671

Monoisotopic Mass

324.20893g/mol

NSC Number

45013

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.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

5.3

MSDS

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COA

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Spec Sheet

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