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Basic Information
CAS No.: 154825-97-5
Name: METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE
Article Data: 22
Molecular Structure:
Molecular Structure of 154825-97-5 (METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE)
Formula: C11H13BrO2
Molecular Weight: 257.127
Synonyms: 2-(4-Bromophenyl)-2-methylpropanoicacid methyl ester;2-(4-Bromophenyl)-2-methylpropionic acid methyl ester;Methyl 2-(4-bromophenyl)-2-methylpropanoate;
EINECS: 1308068-626-2
Density: 1.337 g/cm3
Boiling Point: 290.322 °C at 760 mmHg
Flash Point: 129.382 °C
Solubility: 43mg/L at 20℃
Appearance: Colourless oil
PSA: 26.30000
LogP: 2.89970
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    Benzeneacetic acid,4-broMo-a,a-diMethyl-, Methyl ester

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  • METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE CAS No.154825-97-5

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    154825-97-5

    METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE CAS No.154825-97-5

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  • METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE

  • Casno:

    154825-97-5

    METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE

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    good quality, competitive price, thoughtful after sale serviceAppearance:white powder Storage:Keep it in dry,shady and cool place Package:25kg,50kg,180kg,200kg,250kg,1000kg,customization Application:Pharma;Industry;Agricultural;chemical reaserch Tran

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  • Methyl 2-(4-bromophenyl)-2,2-dimethylacetate cas  154825-97-5

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    154825-97-5

    Methyl 2-(4-bromophenyl)-2,2-dimethylacetate cas 154825-97-5

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    Methyl 2-(4-bromophenyl)-2,2-dimethylacetate cas 154825-97-5Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE

  • Casno:

    154825-97-5

    METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The systematic name of this chemical is methyl 2-(4-bromophenyl)-2-methylpropanoate. With the CAS registry number 154825-97-5, it is also named as benzeneacetic acid, 4-bromo-α,α-dimethyl-, methyl ester. The product's categories are Aromatics Compounds; Aromatics. It is colourless oil which the formula C11H13BrO2.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 ?2; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 58.73 cm3; (9)Molar Volume: 192.2 cm3; (10)Polarizability: 23.28×10-24 cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 1.337 g/cm3; (13)Flash Point: 129.4 °C; (14)Enthalpy of Vaporization: 52.97 kJ/mol; (15)Boiling Point: 290.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00209 mmHg at 25°C.  

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)C(C(=O)OC)(C)C
2. InChI:InChI=1/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
3. InChIKey:JTYDXPPFLQSEAQ-UHFFFAOYAJ