7-Bromoisoquinoline - CAS 58794-09-5
Catalog: |
BB030166 |
Product Name: |
7-Bromoisoquinoline |
CAS: |
58794-09-5 |
Synonyms: |
7-bromoisoquinoline |
IUPAC Name: | 7-bromoisoquinoline |
Description: | 7-Bromoisoquinoline (CAS# 58794-09-5) is a compound useful in organic synthesis. It can be used for the preparation of estrone cortistatin analogs via Suzuki-Miyaura coupling. It could also be used for the preparation of pyrazolopyrimidinamine derivatives. |
Molecular Weight: | 208.05 |
Molecular Formula: | C9H6BrN |
Canonical SMILES: | C1=CC(=CC2=C1C=CN=C2)Br |
InChI: | InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H |
InChI Key: | KABRXLINDSPGDF-UHFFFAOYSA-N |
Boiling Point: | 312.3 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.565 g/cm3 |
MDL: | MFCD07368661 |
LogP: | 2.99730 |
GHS Hazard Statement: | H315 (97.56%): 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-113200941-A | Column aromatic hydrocarbon fluorescent adsorption material containing phenothiazine and preparation method thereof | 20210421 |
CN-113461669-A | Novel androgen receptor degradation agent, preparation method and medical application | 20210322 |
CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 20200915 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Quinoline/Isoquinoline
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