CHLORANIL

Modify Date: 2026-07-23 16:01:50

CHLORANIL Structure
CHLORANIL structure
Common Name CHLORANIL
CAS Number 118-75-2 Molecular Weight 245.9
Density 1.8±0.1 g/cm3 Boiling Point 269.5±40.0 °C at 760 mmHg
Molecular Formula C6Cl4O2 Melting Point 295-296 °C (dec.)
MSDS Chinese USA Flash Point 111.7±27.9 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name tetrachloro-1,4-benzoquinone
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.8±0.1 g/cm3
Boiling Point 269.5±40.0 °C at 760 mmHg
Melting Point 295-296 °C (dec.)
Molecular Formula C6Cl4O2
Molecular Weight 245.9
Flash Point 111.7±27.9 °C
Exact Mass 245.862290
PSA 34.14000
LogP 1.39
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.595
InChIKey UGNWTBMOAKPKBL-UHFFFAOYSA-N
SMILES C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
Water Solubility insoluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK6825000
CHEMICAL NAME :
p-Benzoquinone, 2,3,5,6-tetrachloro-
CAS REGISTRY NUMBER :
118-75-2
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C6-Cl4-O2
MOLECULAR WEIGHT :
245.86
WISWESSER LINE NOTATION :
L6V DVJ BG CG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2485 mg/m3/4H
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 gm/kg/8D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Blood - change in clotting factors Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
66956 mg/kg/22W-C
TOXIC EFFECTS :
Liver - fatty liver degeneration Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
49915 mg/kg/67D-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
71 gm/kg/78W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1100 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 347,37,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84201 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 41 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84201 No. of Facilities: 125 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2098 (estimated) No. of Female Employees: 761 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H315-H319-H410
Precautionary Statements P273-P305 + P351 + P338-P501
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R20;R36/38;R50/53
Safety Phrases S37-S60-S61-S22
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DK6825000
Packaging Group III
Hazard Class 9
HS Code 29147090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914700013
Summary HS:2914700013 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione VAT:17.0% Tax rebate rate:0.0% Supervision conditions:S MFN tariff:5.5% General tariff:30.0%

 Articles39

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Antioxidant and antiproliferative activities of twenty-four Vitis vinifera grapes.

PLoS ONE 9(8) , e105146, (2014)

Grapes are rich in phytochemicals with many proven health benefits. Phenolic profiles, antioxidant and antiproliferative activities of twenty-four selected Vitis vinifera grape cultivars were investig...

Effect of extrusion on phytochemical profiles in milled fractions of black rice.

Food Chem. 178 , 186-94, (2015)

The phytochemical profile and antioxidant activities of unprocessed and extruded milled fractions of black rice were investigated. Extrusion increased the free phenolics, anthocyanins and oxygen radic...

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

J. Med. Chem. 51 , 6740-51, (2008)

The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared ...

 CHLORANILBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of SARS-CoV-2 3CL-Pro proteolytic cleavage of a dual-labeled substrate by ...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL5303714
Name: Inhibition of SARS-CoV-2 3CL-Pro proteolytic cleavage of a dual-labeled substrate by ...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL5303713
Name: Cell Viability Profiling of Human Lymphoblast Cell Lines
Source: NCGC
Target: N/A
External Id: HAPV101
Name: Caspase-3/7 Activation Profiling of Human Lymphoblast Cell Lines
Source: NCGC
Target: N/A
External Id: HAPC101
Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Total 255, Current Page 1 of 26
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione
2,3,5,6-tetrachloro-p-benzoquinone
Reranil
p-Chloranil
2-Propanol, aluminum salt (3:1)
Khloranil
2,3,5,6-Tetrachlorocyclohexa-2,5-diene-1,4-dione
Aluminium tri(2-propanolate)
tetrachloro-p-benzoquinone
Coversan
2,3,5,6-Tetrachloro-1,4-benzoquinone,p-Chloranil,Chloranil
Aluminum isopropoxide
Psorisan
CHLORANIL
Spergon
2,3,5,6-Tetrachloro-1,4-benzoquinone
MFCD00001594
Tetrachloro-1,4-benzoquinone
EINECS 204-274-4
tetrachloro-1-4-benzoquinone
Aluminum tripropan-2-olate

 CHLORANIL | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of tetrachloro-1,4-benzoquinone?
A: SMILES notation of tetrachloro-1,4-benzoquinone is C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl.
Q: What is the polar surface area (PSA) of tetrachloro-1,4-benzoquinone?
A: Polar surface area (PSA) of tetrachloro-1,4-benzoquinone is 34.14000.
Q: What is the InChIKey of tetrachloro-1,4-benzoquinone?
A: InChIKey of tetrachloro-1,4-benzoquinone is UGNWTBMOAKPKBL-UHFFFAOYSA-N.
Q: What is the melting point of tetrachloro-1,4-benzoquinone?
A: Melting point of tetrachloro-1,4-benzoquinone is 295-296 °C (dec.).
Q: What is the molecular weight of tetrachloro-1,4-benzoquinone?
A: Molecular weight of tetrachloro-1,4-benzoquinone is 245.9.
Q: What is the molecular formula of tetrachloro-1,4-benzoquinone?
A: Molecular formula of tetrachloro-1,4-benzoquinone is C6Cl4O2.
Q: How is the water solubility of tetrachloro-1,4-benzoquinone?
A: Water solubility of tetrachloro-1,4-benzoquinone: insoluble.
Q: What is the CAS number of tetrachloro-1,4-benzoquinone?
A: CAS number of tetrachloro-1,4-benzoquinone is 118-75-2.
Q: What are the upstream materials of tetrachloro-1,4-benzoquinone?
A: Related upstream materials(CAS) of tetrachloro-1,4-benzoquinone: 87-87-6;87-86-5;118-74-1;123-31-9;88-06-2;106-50-3;106-51-4;123-30-8;87-82-1.
Q: What is the safety information for tetrachloro-1,4-benzoquinone?
A: Safety information for tetrachloro-1,4-benzoquinone: S37-S60-S61-S22.

 CHLORANILfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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