Chloranilic acid

Names

[ CAS No. ]:
87-88-7

[ Name ]:
Chloranilic acid

[Synonym ]:
chloranilic
2.5-dichloro-3.6-dihydroxy-1,4-benzoquinone
EINECS 201-780-7
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-
2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
p-chloranilicacid
2,5-Dichloro-3,6-dihydroxy-p-quinone
2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone
2,5-Dichloro-3,6-dihydroxy-2,5-cyclohexadiene-1,4-dione
Chloranilic acid
MFCD00001596

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
300.3±42.0 °C at 760 mmHg

[ Melting Point ]:
≥300 °C(lit.)

[ Molecular Formula ]:
C₆H₂Cl₂O₄

[ Molecular Weight ]:
208.984

[ Flash Point ]:
135.4±27.9 °C

[ Exact Mass ]:
207.933014

[ PSA ]:
74.60000

[ LogP ]:
0.18

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.655

[ Storage condition ]:
Amber Vial, Refrigerator

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

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK4005000

CHEMICAL NAME :: p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-

CAS REGISTRY NUMBER :: 87-88-7

BEILSTEIN REFERENCE NO. :: 1875040

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H2-Cl2-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,9,1953

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 ]:
DK4005000

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Spectrophotometric, FTIR and theoretical studies of the charge-transfer complexes between isoniazid (pyridine-4-carboxylic acid hydrazide) and the acceptors (p-chloranil, chloranilic acid and tetracyanoethylene) in acetonitrile, their association constants, thermodynamic properties and other related properties

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 95 , 637-47, (2012)

Graphical abstract

Spectrophotometric, Fourier transform infrared spectroscopic and theoretical studies of the charge-transfer complexes between methyldopa [(S)-2 amino-3-(3,4-dihydroxyphenyl)-2-methyl propanoic acid] and the acceptors (chloranilic acid, o-chloranil and dichlorodicyanobenzoquinone) in acetonitrile and their thermodynamic properties.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 92 , 212-24, (2012)

Methyldopa is a much used antihypertensive drug. It is the subject matter of study mostly for the determination and estimation of methyldopa in pharmaceutical properties. These considerations led us t...

Oxidative double dehalogenation of tetrachlorocatechol by a bio-inspired CuII complex: formation of chloranilic acid.

Chemistry 14(18) , 5567-76, (2008)

Copper(II) complexes of the potentially tripodal N,N,O ligand 3,3-bis(1-methylimidazol-2-yl)propionate (L1) and its conjugate acid HL1 have been synthesised and structurally and spectroscopically char...