2-Bromo-6-chlorobenzoic acid - CAS 93224-85-2
Catalog: |
BB040810 |
Product Name: |
2-Bromo-6-chlorobenzoic acid |
CAS: |
93224-85-2 |
Synonyms: |
2-bromo-6-chlorobenzoic acid |
IUPAC Name: | 2-bromo-6-chlorobenzoic acid |
Description: | 2-Bromo-6-chlorobenzoic acid (CAS# 93224-85-2) is used in the syntheis of Diclofenac Monobromo Sodium Salt Impurity (D436490). |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)C(=O)O)Cl |
InChI: | InChI=1S/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | URGXUQODOUMRFP-UHFFFAOYSA-N |
Boiling Point: | 315.9 °C at 760 mmHg |
Melting Point: | 148-150 °C |
Purity: | 95 % |
Density: | 1.809 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00672929 |
LogP: | 2.80070 |
GHS Hazard Statement: | H301 (86.67%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020006294-A1 | Methods of treating liver fibrosis using calpain inhibitors | 20180628 |
TW-202019916-A | Treatment of liver fibrosis with calpain (CALPAIN) inhibitors | 20180628 |
AU-2019295763-A1 | Methods of treating liver fibrosis using calpain inhibitors | 20180628 |
BR-112020026744-A2 | METHODS FOR TREATING HEPATIC FIBROSIS WITH THE USE OF CALPAINE INHIBITORS | 20180628 |
CA-3105069-A1 | Methods of treating liver fibrosis using calpain inhibitors | 20180628 |
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: | 1.7 |
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