2,5-Dichloro-1,4-benzoquinone

Names

[ CAS No. ]:
615-93-0

[ Name ]:
2,5-Dichloro-1,4-benzoquinone

[Synonym ]:
2,5-dichlorocyclohexa-2,5-diene-1,4-dione
EINECS 210-453-8
MFCD00041736

Chemical & Physical Properties

[ Density]:
1.56g/cm3

[ Boiling Point ]:
241ºC

[ Melting Point ]:
160-163 °C(lit.)

[ Molecular Formula ]:
C₆H₂Cl₂O₂

[ Molecular Weight ]:
176.98500

[ Exact Mass ]:
175.94300

[ PSA ]:
34.14000

[ LogP ]:
1.38360

[ Index of Refraction ]:
1.568

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK3990000

CHEMICAL NAME :: p-Benzoquinone, 2,5-dichloro-

CAS REGISTRY NUMBER :: 615-93-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H2-Cl2-O2

MOLECULAR WEIGHT :: 176.98

WISWESSER LINE NOTATION :: L6V DVJ BG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 400 uL/plate

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 24,590,1980

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DK3990000

[ HS Code ]:
2914700090

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Articles

Molecular mechanism of metal-independent decomposition of organic hydroperoxides by halogenated quinoid carcinogens and the potential biological implications.

Chem. Res. Toxicol. , (2015)

Halogenated quinones (XQ) are a class of carcinogenic intermediates and newly identified chlorination disinfection byproducts in drinking water. Organic hydroperoxides (ROOH) can be produced both by f...

On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties.

Phys. Chem. Chem. Phys. 16(37) , 19928-40, (2014)

The competition between non-covalent interactions (NCIs), such as C-H∙∙∙O, C-H∙∙∙Cl, C-Cl∙∙∙O, C-Cl∙∙∙Cl-C, C-O∙∙∙C, C-Cl∙∙∙C and C-O∙∙∙π, in the isomers of the 2,5-dichloro-1,4-benzoquinone (DCBQ) di...

Halogen bonding in 2, 5-Dichloro-1, 4-benzoquinone: Insights from experimental and theoretical charge density analysis. Hathwar VR, et al.

Cryst. Growth Des. 11(5) , 1855-62, (2011)