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1,2,4,5-Tetrachlorobenzene

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Name

1,2,4,5-Tetrachlorobenzene

EINECS 202-466-2
CAS No. 95-94-3 Density 1.573 g/cm3
PSA 0.00000 LogP 4.30020
Solubility insoluble in water. <0.1 g/100 mL at 21 °C Melting Point 139 °C
Formula C6H2Cl4 Boiling Point 246.924 °C at 760 mmHg
Molecular Weight 215.894 Flash Point 108.2 °C
Transport Information UN 3077 9/PG 3 Appearance white solid
Safety 26-36-45-27-16 Risk Codes 22-36/37/38-23/24/25-11
Molecular Structure Molecular Structure of 95-94-3 (1,2,4,5-TETRACHLOROBENZENE) Hazard Symbols HarmfulXn,ToxicT,FlammableF
Synonyms

NSC 27003;s-Tetrachlorobenzene;

Article Data 84

1,2,4,5-Tetrachlorobenzene Uses

1,2,4,5-Tetrachlorobenzene(95-94-3) is used as an intermediate or building block to make herbicides, insecticides and defoliants. It is
also used to make other chemicals like 2,4,5-trichlorophenol and 2,4,5-trichlorophenoxyacetic acid.

1,2,4,5-Tetrachlorobenzene Specification

The 1,2,4,5-Tetrachlorobenzene, with the CAS registry number 95-94-3, is also known as s-Tetrachlorobenzene. It belongs to the product categories of Organics; Chlorine Compounds; Aryl; C6; Halogenated Hydrocarbons; Pesticides & Metabolites; Q-ZAlphabetic; Alpha Sort; TA - TE; T-ZAlphabetic; Volatiles/ Semivolatiles. Its EINECS number is 202-466-2. This chemical's molecular formula is C6H2Cl4 and molecular weight is 215.89. What's more, its systematic name is 1,2,4,5-Tetrachlorobenzene. Its classification codes are: (1)TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule)under TSCA]; (2)Tumor data. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is used as organic synthetic intermediate.

Physical properties of 1,2,4,5-Tetrachlorobenzene are: (1)ACD/LogP: 4.228; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 962.32; (6)ACD/BCF (pH 7.4): 962.32; (7)ACD/KOC (pH 5.5): 4754.01; (8)ACD/KOC (pH 7.4): 4754.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 45.833 cm3; (14)Molar Volume: 137.236 cm3; (15)Polarizability: 18.17×10-24cm3; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 1.573 g/cm3; (18)Flash Point: 108.176 °C; (19)Enthalpy of Vaporization: 46.447 kJ/mol; (20)Boiling Point: 246.924 °C at 760 mmHg; (21)Vapour Pressure: 0.04 mmHg at 25°C.

Uses of 1,2,4,5-Tetrachlorobenzene: it can be used to produce 1,4-dibromo-2,3,5,6-tetrachloro-benzene by heating. It will need reagents Br2, AlBr3 with the reaction time of 3 hours. The yield is about 97%.

1,2,4,5-Tetrachlorobenzene can be used to produce 1,4-dibromo-2,3,5,6-tetrachloro-benzene by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. This substance is toxic by inhalation, in contact with skin and if swallowed. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1Cl)Cl)Cl)Cl
(2)Std. InChI: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
(3)Std. InChIKey: JHBKHLUZVFWLAG-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 107, 1952.
mouse LD50 oral 1035mg/kg (1035mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC
Hygiene and Sanitation Vol. 30(1-3), Pg. 8, 1965.
rabbit LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(1), Pg. 9, 1965.
rat LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 30(1-3), Pg. 8, 1965.

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