5-Chloroisoquinoline - CAS 5430-45-5

Catalog:	BB028594
Product Name:	5-Chloroisoquinoline
CAS:	5430-45-5
Synonyms:	5-chloroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	5-chloroisoquinoline
Description:	5-Chloroisoquinoline (CAS# 5430-45-5) is a compound useful in organic synthesis.
Molecular Weight:	163.60
Molecular Formula:	C9H6ClN
Canonical SMILES:	C1=CC2=C(C=CN=C2)C(=C1)Cl
InChI:	InChI=1S/C9H6ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChI Key:	PJHSMEMFNSINJE-UHFFFAOYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Melting Point:	72-73 °C
Purity:	95 %
Density:	1.27 g/cm³
Appearance:	White solid
MDL:	MFCD02683295
LogP:	2.88820

Publication Number	Title	Priority Date
US-2021261540-A1	Inhibitors of sarm1	20180607
CN-108640807-B	Preparation method of formylated heterocyclic derivative	20180425
CN-105985290-B	Cross coupling method of ether compound and isoquinoline derivative	20150216
KR-101681954-B1	Boron-Catalyzed Silylative Reduction of N-Heteroaromatics	20141111
KR-20160056151-A	Boron-Catalyzed Silylative Reduction of N-Heteroaromatics	20141111

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[13676-02-3]
2-Chloro-6-methoxyquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, 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:	163.0188769
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7