CAS 3117-03-1 2,5-Dimethoxy-1,4-Benzoquinone

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Charge Transfer Complexes

2,5-Dimethoxy-1,4-Benzoquinone

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Catalog Number

ACM3117031-1

Product Name

2,5-Dimethoxy-1,4-Benzoquinone

Structure

CAS

3117-03-1

Category

Charge Transfer Complexes

Synonyms

2,5-Dimethoxy-p-quinone

Description

Solid

IUPAC Name

2,5-dimethoxycyclohexa-2,5-diene-1,4-dione

Molecular Weight

168.15

Molecular Formula

C8H8O4

Canonical SMILES

COC1=CC(=O)C(=CC1=O)OC

InChI

InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

InChI Key

RMMPZDDLWLALLJ-UHFFFAOYSA-N

Boiling Point

311.1 °C at 760 mmHg

Melting Point

289 °C

Purity

98%

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

255

Covalently-Bonded Unit Count

Exact Mass

168.042259g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.

Heavy Atom Count

MDL Number

MFCD00189386

MeSH Entry Terms

2,5-dimethoxy-1,4-benzoquinone;2,5-dimethoxy-4-benzoquinone

Monoisotopic Mass

168.042259g/mol

NSC Number

509720

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.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

UNII

XJL7OE03FS

XLogP3

-0.1

MSDS

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COA

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Spec Sheet