7-Bromoisoquinoline - CAS 58794-09-5

Catalog:	BB030166
Product Name:	7-Bromoisoquinoline
CAS:	58794-09-5
Synonyms:	7-bromoisoquinoline

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Computed Properties

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 ℃ at 760 mmHg
Purity:	97 %
Density:	1.565 g/cm³
MDL:	MFCD07368661
LogP:	2.99730

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

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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

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