Name: ETHYL 3,5-DIBROMO-2,4-DIHYDROXY-6-METHYLBENZOATE
SKU: 21855-46-9

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Basic Information

Molecular Structure:
CAS No.:	21855-46-9
Name:	ETHYL 3,5-DIBROMO-2,4-DIHYDROXY-6-METHYLBENZOATE
Article Data:	3

Formula:	C₁₀H₁₀Br₂O₄
Molecular Weight:	353.995
Synonyms:	ETHYL 3,5-DIBROMO-2,4-DIHYDROXY-6-METHYLBENZOATE
Density:	1.869 g/cm³
Melting Point:	138-142 °C (lit.)
Boiling Point:	323.1 °C at 760 mmHg
Flash Point:	149.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	66.76000
LogP:	3.10790

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Specification

The Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester, has the CAS registry number 21855-46-9. This chemical's molecular formula is C₁₀H₁₀Br₂O₄ and molecular weight is 353.99. What's more, its IUPAC name is Ethyl 3, 5-dibromo-2, 4-dihydroxy-6-methylbenzoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be away from oxidant.

Physical properties about Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 66.62 cm³; (9)Molar Volume: 189.3 cm³; (10)Polarizability: 26.41×10^-24 cm³; (11)Surface Tension: 57.1 dyne/cm; (12)Density: 1.869 g/cm³; (13)Flash Point: 149.2 °C; (14)Enthalpy of Vaporization: 58.75 kJ/mol; (15)Boiling Point: 323.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000142 mmHg at 25 °C.

Preparation of Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester: this chemical can be obtained by 2-Methyl-4, 6-dioxo-cyclohexanecarboxylic acid ethyl ester. The reaction needs solvent Acetic acid. Besides, the reaction time is 1 hour at ambient temperature.

The Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester can be obtained by 2-Methyl-4, 6-dioxo-cyclohexanecarboxylic acid ethyl ester

Uses of Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce 2, 4-Dihydroxy-6-methyl-benzoic acid ethyl ester. This reaction needs reagents Hydrogen, Palladium-calcium carbonate and NaOH-solution.

The Benzoic acid, 3, 5-dibromo-2, 4-dihydroxy-6-methyl-, ethyl ester can be used to produce 2, 4-Dihydroxy-6-methyl-benzoic acid ethyl ester

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 protective clothing, 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 data into molecular structure:
(1) SMILES: Brc1c(c(c(O)c(Br)c1O)C(=O)OCC)C
(2) InChI: InChI=1/C10H10Br2O4/c1-3-16-10(15)5-4(2)6(11)9(14)7(12)8(5)13/h13-14H,3H2,1-2H3
(3) InChIKey: RVOPKMSNJRHIAQ-UHFFFAOYAW