CAS 95-94-3|1,2,4,5-Tetrachlorobenzene

Introduction：Basic information about CAS 95-94-3|1,2,4,5-Tetrachlorobenzene, 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. Articles29
7. Synonyms

Common Name	1,2,4,5-Tetrachlorobenzene
CAS Number	95-94-3	Molecular Weight	215.892
Density	1.6±0.1 g/cm3	Boiling Point	246.9±35.0 °C at 760 mmHg
Molecular Formula	C₆H₂Cl₄	Melting Point	139 °C
MSDS	ChineseUSA	Flash Point	108.2±23.3 °C
Symbol	GHS07, GHS09	Signal Word	Warning

Names

Name	1,2,4,5-tetrachlorobenzene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	246.9±35.0 °C at 760 mmHg
Melting Point	139 °C
Molecular Formula	C₆H₂Cl₄
Molecular Weight	215.892
Flash Point	108.2±23.3 °C
Exact Mass	213.891068
LogP	4.23
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.583
InChIKey	JHBKHLUZVFWLAG-UHFFFAOYSA-N
SMILES	Clc1cc(Cl)c(Cl)cc1Cl
Stability	Stable. Combustible. Incompatible with strong oxidizing agents. Reacts explosively with alkaline methanol solutions.
Water Solubility	insoluble.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB9450000

CHEMICAL NAME :: Benzene, 1,2,4,5-tetrachloro-

CAS REGISTRY NUMBER :: 95-94-3

BEILSTEIN REFERENCE NO. :: 1618315

LAST UPDATED :: 199712

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C6-H2-Cl4

MOLECULAR WEIGHT :: 215.88

WISWESSER LINE NOTATION :: GR BG DG EG

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 :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 30(1-3),8,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1035 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 30(1-3),8,1965

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,107,1952

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 30(1),9,1965 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5460 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition Blood - pigmented or nucleated red blood cells

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB91-185330

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 896 mg/kg/28D-C

TOXIC EFFECTS :: Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)

REFERENCE :: JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 11,663,1983

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2700 mg/kg/90D-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 7,113,1984

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4567 mg/kg/9W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight Blood - changes in bone marrow (not otherwise specified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 30(1),9,1965

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 12 mg/kg/35W-I

TOXIC EFFECTS :: Behavioral - alteration of classical conditioning Liver - changes in liver weight

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 30(1),9,1965

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2100 mg/kg/14D-C

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NIH-91-3126

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4550 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Blood - microcytosis with or without anemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NIH-91-3126

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12 mg/kg/35W-I

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Blood - changes in other cell count (unspecified)

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 30(1),9,1965

Safety Information

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335-H410
Precautionary Statements	P261-P273-P305 + P351 + P338-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S36-S45-S27-S16
RIDADR	UN 3077 9/PG 3
WGK Germany	3
RTECS	DB9450000
Packaging Group	I; II; III
Hazard Class	6.1
HS Code	29036990

Customs

HS Code	2903999090
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles29

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Determination of chlorobenzenes in water samples by solid-phase disk extraction and gas chromatography-electron capture detection.

J. Chromatogr. Sci. 52(5) , 375-82, (2014)

A simple, rapid, sensitive and high throughput method is described, based on solid-phase disk extraction (SPDE) and gas chromatography-electron capture detection, for the determination of chlorobenzen...

Influence of iron and copper oxides on polychlorinated diphenyl ether formation in heterogeneous reactions.

Environ. Sci. Pollut. Res. Int. 20(8) , 5569-76, (2013)

Polychlorinated diphenyl ether (PCDE) has attracted great attention recently as an important type of environmental pollutant. The influence of iron and copper oxides on formation of PCDEs was investig...

Synonyms

MFCD00000549

Benzene, 1,2,4,5-tetrachloro-

1,2,4,5-Tetrachlorobenzene

EINECS 202-466-2

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