CAS No.3095-73-6,HEXAKIS(BROMOMETHYL)BENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3095-73-6
Name:	HEXAKIS(BROMOMETHYL)BENZENE
Article Data:	19

Formula:	C₁₂H₁₂Br₆
Molecular Weight:	635.651
Synonyms:	Hexakis(bromomethyl)benzene;1,2,3,4,5,6-Hexakis(bromomethyl)benzene;Benzene, hexakis (bromomethyl)-;Hexakis(brommethyl)benzol;
EINECS:	221-443-8
Density:	2.386 g/cm³
Melting Point:	295-297 °C(lit.)
Boiling Point:	498.3 °C at 760 mmHg
Flash Point:	245.5 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	22-26-27-36/37/39-45
Transport Information:	UN 3261
PSA:	0.00000
LogP:	7.05600

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Specification

The Benzene,1,2,3,4,5,6-hexakis(bromomethyl)-, with the CAS registry number 3095-73-6, is also known as Hexakis(bromomethyl)benzene. It belongs to the product categories of Aryl; C₉ to C₁₂; Halogenated Hydrocarbons. Its EINECS number is 221-443-8. This chemical's molecular formula is C₁₂H₁₂Br₆ and molecular weight is 635.65. What's more, its IUPAC name is 1,2,3,4,5,6-hexakis(bromomethyl)benzene.

Physical properties of Benzene,1,2,3,4,5,6-hexakis(bromomethyl)- are: (1)ACD/LogP: 6.91; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.91; (4)ACD/LogD (pH 7.4): 6.91; (5)ACD/BCF (pH 5.5): 104715.38; (6)ACD/BCF (pH 7.4): 104715.38; (7)ACD/KOC (pH 5.5): 136427.53; (8)ACD/KOC (pH 7.4): 136427.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 102.14 cm³; (15)Molar Volume: 266.3 cm³; (16)Polarizability: 40.49×10^-24cm³; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 2.386 g/cm³; (19)Flash Point: 245.5 °C; (20)Enthalpy of Vaporization: 73.74 kJ/mol; (21)Boiling Point: 498.3 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,6-tris(bromomethyl)mesitylene by heating. This reaction will need reagent Br₂ and various solvents with the reaction time of 24 hours. The yield is about 97%.

Benzene,1,2,3,4,5,6-hexakis(bromomethyl)- can be prepared by 2,4,6-tris(bromomethyl)mesitylene by heating

Uses of Benzene,1,2,3,4,5,6-hexakis(bromomethyl)-: it can be used to produce hexahydro-benzotriselenophene by heating. It will need reagent Li₂Se and solvent toluene. The yield is about 55%.

Benzene,1,2,3,4,5,6-hexakis(bromomethyl)- can be used to produce hexahydro-benzotriselenophene by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may also cause burns. What's more, do not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Moreover, you should take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. At last, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(c(c(c(c1CBr)CBr)CBr)CBr)CBr
(2)Std. InChI: InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2
(3)Std. InChIKey: XJOUCILNLRXRTF-UHFFFAOYSA-N