2,5-Dichloro-1,4-benzoquinone

Catalog Number

ACM615930

Product Name

2,5-Dichloro-1,4-benzoquinone

Structure

CAS

615-93-0

Category

Heterocyclic Organic Compound

Synonyms

2,5-Dichloro-p-quinone

IUPAC Name

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

Molecular Weight

176.98

Molecular Formula

C6H2Cl2O2

Canonical SMILES

C1=C(C(=O)C=C(C1=O)Cl)Cl

InChI

InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H

InChI Key

LNXVNZRYYHFMEY-UHFFFAOYSA-N

Melting Point

161 °C

Solubility

soluble in Methanol

Appearance

Light yellow to Yellow to Orange powder to crystal

Storage

Store under inert gas

Complexity

235

Condition To Avoid

Light Sensitive

Covalently-Bonded Unit Count

1

EC Number

210-453-8

Exact Mass

175.943185g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

2

H-Bond Donor

0

Heavy Atom Count

10

MDL Number

MFCD00041736

Monoisotopic Mass

175.943185g/mol

NSC Number

6251

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

0

Signal Word

Warning

XLogP3

1.7

MSDS

COA

Spec Sheet