Customer support

xie@china-sinoway.com
English
banner
Products
Home

Pharmaceutical Intermediates

Dapagliflozin intermediate/ Empagliflozin intermediate/ 5-Bromo-2-chlorobenzoic acid 21739-92-4

Dapagliflozin intermediate/ Empagliflozin intermediate/ 5-Bromo-2-chlorobenzoic acid 21739-92-4

99% up by HPLC, Total impurity < 0.1%
  • Product Details

Product Information


Product name

5-Bromo-2-chlorobenzoic acid

Synonyms

5-bromo-2-chloro-benzoate;5-bromo-2-chloro-benzoic acid;2-Chloro-5-bromobenzoic acid;5-Bromo-2-Chloro Benzoic Acid;2-Chloro-5-Bromo Benzoic Acid;

CAS No.

21739-92-4

Molecular Formula

C7H4BrClO2

Molecular Weight

235.465

Molecular Structure


Quality Standard

99% up by HPLC

Appearance

White to off-white powder


Usage


The characteristics of 5-Bromo-2-chlorobenzoic acid can be summarized as: 

(1)ACD/LogP: 2.79;

(2)# of Rule of 5 Violations: 0;

(3)ACD/LogD (pH 5.5): 0.02;

(4)ACD/LogD (pH 7.4): -0.35;

(5)ACD/BCF (pH 5.5): 1;

(6)ACD/BCF (pH 7.4): 1;

(7)ACD/KOC (pH 5.5): 1.32;

(8)ACD/KOC (pH 7.4): 1;

(9)#H bond acceptors: 2;

(10)#H bond donors: 1;

(11)#Freely Rotating Bonds: 1;

(12)Index of Refraction: 1.621;

(13)Molar Refractivity: 45.76 cm3;

(14)Molar Volume: 130 cm3;

(15)Polarizability: 18.14×10-24 cm3;

(16)Surface Tension: 55.9 dyne/cm;

(17)Enthalpy of Vaporization: 59.81 kJ/mol;

(18)Vapour Pressure: 0.0001 mmHg at 25°C;

(19)Rotatable Bond Count: 1;

(20)Exact Mass: 233.90832;

(21)MonoIsotopic Mass: 233.90832;

(22)Topological Polar Surface Area: 37.3;

(23)Heavy Atom Count: 11;

(24)Complexity: 163.


Preparation of 5-Bromo-2-chlorobenzoic acid: It can be obtained by 1-bromo-4-chloro-benzene and carbon dioxide. This reaction needs reagent 2,2,6,6-tetramethylpiperidine, butyllithium and solvent tetrahydrofuran and hexane at temperature of -75 °C. The reaction time is 2 hours. The yield is 52%.


Uses of 5-Bromo-2-chlorobenzoic acid: It can be used to produce 2-chloro-5-deuteriobenzoic acid. This reaction needs reagent sodium carbonate, Raney Cu-Al alloy and solvent D2O at temperature of 65 °C. The reaction time is 8 hours. The yield is 88%. 

Send A Message

If you are interested in our products and want to know more details,please leave a message here,we will reply you as soon as we can.
Related Products

CBZ-L-HABA
AMIKACIN INTERMEDIATE 40371-50-4 CBZ-L-HABA
99% up by HPLC, medical grade
NIFURATEL INTERMEDIATE
NIFURATEL INTERMEDIATE 14359-97-8
99% up, Medical Grade
TELMISARTAN INTERMEDIATE
TELMISARTAN INTERMEDIATE 152628-03-0
99% up, Medical Grade
NITROBENZALDEHYDE
M-NITROBENZALDEHYDE 99-61-6
99% up, Medical Grade
sartan key intermediates
SARTAN INTERMEDIATES
CAS No. of Key Sartan Intermediates: 124750-51-2 ; 144690-92-6 ; 80841-78-7 ; 144689-93-0
Send A Message
Send A Message
If you are interested in our products and want to know more details,please leave a message here,we will reply you as soon as we can.

Home

Products

about

Contact