Dapagliflozin Impurity 51

Dapagliflozin Impurity 51 - Names and Identifiers

Name	2-Bromo-4-chlorobenzoic acid
Synonyms	2-BroMo-4-chlorobenz Dapagliflozin Impurity 51 Dapagliflozin Impurity 159 2-BroM-4-chlorobenzoic acid 2-BROMO-4-CHLOROBENZOIC ACID 2-Bromo-4-chlorobenzoic acid Benzoic acid, 2-bromo-4-chloro-
CAS	936-08-3

Dapagliflozin Impurity 51 - Physico-chemical Properties

Molecular Formula	C7H4BrClO2
Molar Mass	235.46
Density	1.809±0.06 g/cm3(Predicted)
Melting Point	157-161 °C
Boling Point	326.5±27.0 °C(Predicted)
Appearance	Solid
pKa	2.62±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00672930

Dapagliflozin Impurity 51 - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R50 - Very Toxic to aquatic organisms R34 - Causes burns R22 - Harmful if swallowed
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 2928
WGK Germany	3
Hazard Note	Irritant
Hazard Class	6.1
Packing Group	Ⅲ

Dapagliflozin Impurity 51 - Reference Information

use

2-bromo -4-chlorobenzoic acid is used in the production of medicine, dye carriers, plasticizers, spices and food preservatives, and is also used for the performance improvement of alkyd resin coatings. It can also be used for antifungal and antiseptic, as chemical reagents and preservatives. 2-Bromo-4-chlorobenzoic acid is often used as a fixative or preservative. It is also used as a fragrance-retaining agent for fruit juice drinks. It can also be used in chocolate, lemon, orange, berry, nut, candied fruit and other edible flavors.

synthesis method

crude acid (11a or 12a;1.0g) is dissolved in concentrated H2SO4(10 cm3), stirred for 5 h, and poured into 50 cm3 ice water. The product was separated and washed with 5% Na2CO3 solution. The crude anthrone was dissolved in 30 cm3 of acetic acid. Add 2.00g of K2Cr2O7 saturated aqueous solution and heat the mixture to 90°C for 1 hour. After cooling, the mixture is poured into 200 cm3 of water. The separated solids were filtered, chromatographed on a silica gel column (benzene, then chloroform), and then purified by crystallization to give 2-bromo-4-chlorobenzoic acid. 13, yield (85.2%). M, p.156-158°C, formula:(C7H4BrClO2), analysis result (%):C 35.51,H 1.80, nuclear magnetic carbon spectrum data: C(35.71),H(1.71). Infrared data: IR(cm-1):3100(OH)1705(C = 0);1H nuclear magnetic resonance δH(200 MHz, dimethyl sulfoxide-d6)= 13.5(br s,1 H,COOH),7.88(d,1 H,J = 2.1Hz,3-A r-H),7.78(d,1 H,J = 8.4Hz,5-Ar-H),7.57(dd,1 H, j1 = 2.1Hz,J2 = 8.3Hz, 6-ar-h ") ppm.
Figure 2-Bromo-4-chlorobenzoic acid synthesis route

Last Update：2024-04-09 20:45:29

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