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636-28-2

Basic Information
CAS No.: 636-28-2
Name: 1,2,4,5-TETRABROMOBENZENE
Article Data: 32
Molecular Structure:
Molecular Structure of 636-28-2 (1,2,4,5-TETRABROMOBENZENE)
Formula: C6H2Br4
Molecular Weight: 393.698
Synonyms: 1,2,4,5-Tetrabromobenzene;2,3,5,6-Tetrabromobenzene;NSC 27002;
EINECS: 211-253-3
Density: 2.553 g/cm3
Melting Point: 180-182 °C(lit.)
Boiling Point: 327.5 °C at 760 mmHg
Flash Point: 148.5 °C
Solubility: Insoluble in water.
Appearance: brown crystalline needles
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 0.00000
LogP: 4.73660
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Specification

The Benzene,1,2,4,5-tetrabromo-, with the CAS registry number 636-28-2, is also known as NSC 27002. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Aryl; C6; Halogenated Hydrocarbons. Its EINECS registry number is 211-253-3. This chemical's molecular formula is C6H2Br4 and molecular weight is 393.69608. Its IUPAC name is called 1,2,4,5-tetrabromobenzene. This chemical is brown crystalline needles.

Physical properties of Benzene,1,2,4,5-tetrabromo-: (1)ACD/LogP: 5.00; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 3715.1; (5)ACD/BCF (pH 7.4): 3715.1; (6)ACD/KOC (pH 5.5): 12501.99; (7)ACD/KOC (pH 7.4): 12501.99; (8)Index of Refraction: 1.661; (9)Molar Refractivity: 57.01 cm3; (10)Molar Volume: 154.1 cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 2.553 g/cm3; (13)Flash Point: 148.5 °C; (14)Enthalpy of Vaporization: 54.71 kJ/mol; (15)Boiling Point: 327.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000385 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dibromo-benzene. This reaction will need reagent concentrated sulfuric acid.

Uses of Benzene,1,2,4,5-tetrabromo-: it can be used to produce 6,7-Dibromo-1,4-epoxy-1,4-dihydronaphthalene at temperature of -23 °C. This reaction will need reagent n-BuLi and solvent toluene, hexane with reaction time of 3 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)Br
(2)InChI: InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
(3)InChIKey: QCKHVNQHBOGZER-UHFFFAOYSA-N