CAS No.615-54-3,1,2,4-TRIBROMOBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	615-54-3
Name:	1,2,4-TRIBROMOBENZENE
Article Data:	43
Cas Database

Formula:	C₆H₃Br₃
Molecular Weight:	314.802
Synonyms:	1,2,4-Tribromobenzene;NSC 62440;
EINECS:	210-433-9
Density:	2.281 g/cm³
Melting Point:	41-43 °C(lit. )
Boiling Point:	277.3 °C at 760 mmHg
Flash Point:	120 °C
Solubility:	Insoluble in water.
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	0.00000
LogP:	3.97410

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Specification

The Benzene, 1, 2, 4-tribromo-, with the CAS registry number of 615-54-3, is also known as 1, 2, 4-Tribromo-benzen. It belongs to the product categories of Bromine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS registry number is 210-433-9. This chemical's molecular formula is C₆H₃Br₃ and molecular weight is 314.8. What's more, its IUPAC name is 1, 2, 4-Tribromobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 1, 2, 4-tribromo- are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1257.29; (6)ACD/BCF (pH 7.4): 1257.29; (7)ACD/KOC (pH 5.5): 5756.73; (8)ACD/KOC (pH 7.4): 5756.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 49.32 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 19.55×10^-24 cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 2.281 g/cm³; (19)Flash Point: 120 °C; (20)Enthalpy of Vaporization: 49.51 kJ/mol; (21)Boiling Point: 277.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0077 mmHg at 25 °C; (23)Melting Point: 41-43 °C(lit. ).

Preparation: this chemical is prepared by 1, 4-Dibromo-benzene at heating. The reaction needs reagent 10 % KBrO₃. Meanwhile, it needs solvents aq. H₂SO₄ and Acetic acid. The reaction time is 90 minutes. The yield is about 30 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1, 2, 4-Tribromo-3, 5, 6-triiodo-benzene at ambient temperature. This reaction needs reagents Bis(pyridine)iodonium(I) tetrafluoroborate and CF₃SO₃H. Meanwhile, it needs solvent CH₂Cl₂. The yield is about 64 %.

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

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)c(Br)cc1
(2) InChI: InChI=1/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3) InChIKey: FWAJPSIPOULHHH-UHFFFAOYAX