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1,4-Dibromo-2,5-dimethylbenzene

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Name

1,4-Dibromo-2,5-dimethylbenzene

EINECS 214-038-2
CAS No. 1074-24-4 Density 1.71 g/cm3
PSA 0.00000 LogP 3.82840
Solubility Soluble in toluene, hot ethanol and hot methanol.Insoluble in water. Melting Point 72-74 °C(lit.)
Formula C8H8Br2 Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 263.96 Flash Point 124.2 °C
Transport Information UN 2811 6.1/PG 1 Appearance white to slightly yellow shiny crystalline powder
Safety 26-37/39-61 Risk Codes 36/37/38-51/53
Molecular Structure Molecular Structure of 1074-24-4 (1,4-Dibromo-2,5-dimethylbenzene) Hazard Symbols IrritantXi
Synonyms

p-Xylene,2,5-dibromo- (6CI,7CI,8CI);2,5-Dibromo-1,4-dimethylbenzene;2,5-Dibromo-1,4-xylene;2,5-Dibromo-p-xylene;2,5-Dimethyl-1,4-dibromobenzene;NSC 106321;

Article Data 51

1,4-Dibromo-2,5-dimethylbenzene Specification

The Benzene,1,4-dibromo-2,5-dimethyl-, with CAS registry number 1074-24-4, belongs to the following product categories: (1)Fluorobenzene; (2)Aromatic Halides (substituted); (3)Bromine Compounds. It has the systematic name of 1,4-dibromo-2,5-dimethylbenzene. This chemical is a kind of white to slightly yellow shiny crystalline powder. What's more, its EINECS is 214-038-2.

Physical properties of Benzene,1,4-dibromo-2,5-dimethyl-: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 2233.51; (6)ACD/BCF (pH 7.4): 2233.51; (7)ACD/KOC (pH 5.5): 8685.63; (8)ACD/KOC (pH 7.4): 8685.63; (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: 1.578; (14)Molar Refractivity: 51.28 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 20.33×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 47.83 kJ/mol; (19)Vapour Pressure: 0.0195 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dimethyl-benzene. This reaction will need reagent iodine.

Uses of Benzene,1,4-dibromo-2,5-dimethyl-: it can be used to produce 2,5-dibromo-4-methyl-benzoic acid. This reaction will need reagent aqueous nitric acid.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,4-dibromo-2,5-dimethyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(cc(Br)c(c1)C)C
(2)InChI: InChI=1/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
(3)InChIKey: QENIALCDPFDFHX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
(5)Std. InChIKey: QENIALCDPFDFHX-UHFFFAOYSA-N

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