1-Bromoisoquinoline - CAS 1532-71-4

Catalog:	BB010872
Product Name:	1-Bromoisoquinoline
CAS:	1532-71-4
Synonyms:	1-bromoisoquinoline

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-bromoisoquinoline
Description:	1-Bromoisoquinoline (CAS# 1532-71-4) is a useful research chemical.
Molecular Weight:	208.05
Molecular Formula:	C9H6BrN
Canonical SMILES:	C1=CC=C2C(=C1)C=CN=C2Br
InChI:	InChI=1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChI Key:	YWWZASFPWWPUBN-UHFFFAOYSA-N
Boiling Point:	316.3 °C at 760 mmHg
Purity:	98 %
Density:	1.564 g/cm³
Appearance:	Ligt yellow to light brown low melting solid
MDL:	MFCD00234478
LogP:	2.99730

Publication Number	Title	Priority Date
CN-113461669-A	Novel androgen receptor degradation agent, preparation method and medical application	20210322
CN-112047884-A	Synthesis method of 4-fluoroisoquinoline sulfate	20200911
CN-111647018-A	Preparation method of phosphorus center chiral compound	20200604
CN-111423471-A	D-A type aromatic ring conjugated dendritic ring metal iridium complex and application thereof	20200522
CN-113292494-A	Isoquinoline carboxylic acid compound and preparation method and application thereof	20200224

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Related Functional Groups

Quinoline/Isoquinoline

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[927800-47-3]
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[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester

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GHS Hazard Statement:	H301 (92.86%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

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:	3.3