CAS 87-88-7|Chloranilic acid

Introduction：Basic information about CAS 87-88-7|Chloranilic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles25
7. Synonyms

Common Name	Chloranilic acid
CAS Number	87-88-7	Molecular Weight	208.984
Density	1.9±0.1 g/cm3	Boiling Point	300.3±42.0 °C at 760 mmHg
Molecular Formula	C₆H₂Cl₂O₄	Melting Point	≥300 °C(lit.)
MSDS	ChineseUSA	Flash Point	135.4±27.9 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	chloranilic acid
Synonym	More Synonyms

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
InChIKey	IPPWILKGXFOXHO-UHFFFAOYSA-N
SMILES	O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl
Storage condition	Amber Vial, Refrigerator
Stability	Stable. Incompatible with strong oxidizing agents.

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

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%

Articles25

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...

Synonyms

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

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