2-Chloro-5-methyl-1,4-benzoquinone

Catalog Number

ACM19832872

Product Name

2-Chloro-5-methyl-1,4-benzoquinone

Structure

CAS

19832-87-2

Category

Heterocyclic Organic Compound

Synonyms

2-Chloro-5-methyl-p-quinone
5-Chlorotoluquinone

IUPAC Name

2-chloro-5-methylcyclohexa-2,5-diene-1,4-dione

Molecular Weight

156.57

Molecular Formula

C7H5ClO2

Canonical SMILES

CC1=CC(=O)C(=CC1=O)Cl

InChI

InChI=1S/C7H5ClO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3

InChI Key

BIUBEGIHROOPTQ-UHFFFAOYSA-N

Melting Point

106 °C

Appearance

Light yellow to Amber to Dark green powder to crystal

Storage

Store under inert gas

Complexity

261

Condition To Avoid

Light Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

155.997807g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.H317 : May cause an allergic skin reaction.H410 : Very toxic to aquatic life with long lasting effects.

H-Bond Acceptor

2

H-Bond Donor

0

Heavy Atom Count

10

MDL Number

MFCD00189381

Monoisotopic Mass

155.997807g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P272 : Contaminated work clothing must not be allowed out of the workplace.P391 : Collect spillage.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

0

Signal Word

Warning

XLogP3

1.7

MSDS

COA

Spec Sheet