CAS No.21702-79-4,METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21702-79-4
Name:	METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE
Article Data:	12

Formula:	C₈H₆Br₂O₃
Molecular Weight:	309.942
Synonyms:	Salicylicacid, 3,5-dibromo-, methyl ester (7CI,8CI);Methyl 3,5-dibromo-2-hydroxybenzoate;Methyl 3,5-dibromosalicylate;3,5-Dibromosalicylic acid methyl ester;
Density:	1.96 g/cm³
Melting Point:	146-156 °C
Boiling Point:	282.3 °C at 760 mmHg
Flash Point:	124.5 °C
Appearance:	White crystalline powder
Hazard Symbols:	T
Risk Codes:	36/37/38
Safety:	24/25
PSA:	46.53000
LogP:	2.70380

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Specification

The Benzoic acid,3,5-dibromo-2-hydroxy-, methyl ester, with the CAS registry number 21702-79-4, is also known as Methyl 3,5-dibromosalicylate. This chemical's molecular formula is C₈H₆Br₂O₃ and molecular weight is 309.94. What's more, its systematic name is Methyl 3,5-dibromo-2-hydroxybenzoate and it belongs to the product categories of Aromatic Esters; Acids & Esters; Bromine Compounds; Phenols. The product should be sealed and stored in containers which are placed in cool and dry places. Besides, it should be protected from oxides.

Physical properties of Benzoic acid,3,5-dibromo-2-hydroxy-, methyl ester are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 644.59; (6)ACD/BCF (pH 7.4): 420.07; (7)ACD/KOC (pH 5.5): 3561.57; (8)ACD/KOC (pH 7.4): 2321.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 55.28 cm³; (15)Molar Volume: 158.1 cm³; (16)Polarizability: 21.91×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.96 g/cm³; (19)Flash Point: 124.5 °C; (20)Enthalpy of Vaporization: 54.21 kJ/mol; (21)Boiling Point: 282.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00199 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-hydroxy-benzoic acid methyl ester at the ambient temperature. This reaction will need reagent Br₂ and solvent acetic acid with the reaction time of 1 hour. The yield is about 80%.

Benzoic acid,3,5-dibromo-2-hydroxy-, methyl ester can be prepared by 2-hydroxy-benzoic acid methyl ester at the ambient temperature

Uses of Benzoic acid,3,5-dibromo-2-hydroxy-, methyl ester: it can be used to produce 3,5-dibromo-2-hydroxy-benzoic acid hydrazide by heating. It will need reagent 60 percent hydrazine hydrate and solvent methanol with the reaction time of 20 min. The yield is about 80%.

Benzoic acid,3,5-dibromo-2-hydroxy-, methyl ester can be used to produce 3,5-dibromo-2-hydroxy-benzoic acid hydrazide by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you need avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=CC(=C1O)Br)Br
(2)InChI: InChI=1S/C8H6Br2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
(3)InChIKey: KISQISIKTRRMOX-UHFFFAOYSA-N