4-Bromo-2-iodoaniline - CAS 66416-72-6
Catalog: |
BB033027 |
Product Name: |
4-Bromo-2-iodoaniline |
CAS: |
66416-72-6 |
Synonyms: |
4-bromo-2-iodoaniline |
IUPAC Name: | 4-bromo-2-iodoaniline |
Description: | 4-Bromo-2-iodoaniline (CAS# 66416-72-6) is a useful reagent in the study of developing a palladium-catalyzed synthesis of 2-quinolone derivatives from 2-iodoanilines. |
Molecular Weight: | 297.92 |
Molecular Formula: | C6H5BrIN |
Canonical SMILES: | C1=CC(=C(C=C1Br)I)N |
InChI: | InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
InChI Key: | HHTYEQWCHQEJNV-UHFFFAOYSA-N |
Boiling Point: | 297.9 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 2.292 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Grey to purple solid |
MDL: | MFCD02093764 |
LogP: | 3.21710 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113149978-A | Intermediate compound, preparation method and application thereof | 20210204 |
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CN-112390793-B | CDK6/DYRK2 double-target inhibitor and preparation method and application thereof | 20210119 |
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WO-2021191240-A1 | Combination therapy | 20200324 |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.86501 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.86501 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Amines and Anilines
Nitrogen Compounds
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