5-Bromo-2-iodobenzoic acid - CAS 21740-00-1
Catalog: |
BB017122 |
Product Name: |
5-Bromo-2-iodobenzoic acid |
CAS: |
21740-00-1 |
Synonyms: |
5-bromo-2-iodobenzoic acid |
IUPAC Name: | 5-bromo-2-iodobenzoic acid |
Description: | 5-Bromo-2-iodobenzoic acid (CAS# 21740-00-1) is a useful research chemical. |
Molecular Weight: | 326.91 |
Molecular Formula: | C7H4BrIO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)I |
InChI: | InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | IGBNDUKRHPTOBP-UHFFFAOYSA-N |
Boiling Point: | 360.1 °C at 760 mmHg |
Melting Point: | 161-163 °C |
Purity: | 98 % |
Density: | 2.331 g/cm3 |
MDL: | MFCD00079717 |
LogP: | 2.75190 |
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-113511999-A | Synthetic method of 3- (2-bromo-9-phenyl-9H-fluoren-9-yl) pyridine | 20210621 |
CN-113200908-A | Tertiary amine-containing anthranilamide compound and preparation and application thereof | 20210409 |
CN-112010748-A | Preparation method of 2, 5-di (2,2, 2-trifluoroethoxy) benzoic acid | 20200909 |
WO-2021028935-A1 | Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr) | 20190812 |
WO-2020130081-A1 | Method for producing 2-iodosobenzoic acids | 20181221 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.84394 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.84394 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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