5-Bromo-2-chlorobenzoic acid - CAS 21739-92-4
Catalog: |
BB017120 |
Product Name: |
5-Bromo-2-chlorobenzoic acid |
CAS: |
21739-92-4 |
Synonyms: |
5-bromo-2-chlorobenzoic acid |
IUPAC Name: | 5-bromo-2-chlorobenzoic acid |
Description: | 5-Bromo-2-chlorobenzoic acid (CAS# 21739-92-4) is used as a starting material in the synthesis of Dapagliflozin (D185370), a selective sodium-glucose cotransporter-2 inhibitor that reduces renal glucose reabsorption and is used to treat patients with type 2 diabetes. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)Cl |
InChI: | InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | FGERXQWKKIVFQG-UHFFFAOYSA-N |
Boiling Point: | 324.5 °C at 760 mmHg |
Density: | 1.809 g/cm3 |
MDL: | MFCD00002415 |
LogP: | 2.80070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480497-A | Synthesis method of empagliflozin key intermediate | 20210727 |
CN-113321577-A | Preparation method of 5-bromo-2-chlorobenzoic acid | 20210628 |
CN-113149973-A | Synthesis method of engagliflozin | 20210426 |
CN-112979448-A | Preparation method of high-selectivity 5-bromo-2-chlorobenzoic acid | 20210301 |
CN-112920030-A | Method for preparing dapagliflozin intermediate by one-pot method | 20210205 |
PMID | Publication Date | Title | Journal |
21578801 | 20091114 | (5-Bromo-2-chloro-phen-yl)(4-ethoxy-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.90832 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.90832 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS