7-Chloroindole - CAS 53924-05-3

Catalog:	BB028398
Product Name:	7-Chloroindole
CAS:	53924-05-3
Synonyms:	7-chloro-1H-indole

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Computed Properties

IUPAC Name:	7-chloro-1H-indole
Description:	7-Chloroindole (CAS# 53924-05-3) is a useful research chemical.
Molecular Weight:	151.59
Molecular Formula:	C8H6ClN
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC=C2
InChI:	InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChI Key:	WMYQAKANKREQLM-UHFFFAOYSA-N
Boiling Point:	90-95 °C (0.25 mmHg)
Melting Point:	53-59 °C
Purity:	≥ 95 % (HPLC)
Density:	1.331 g/cm³
Appearance:	Brown crystalline powder
MDL:	MFCD01321301
LogP:	2.82130

Publication Number	Title	Priority Date
WO-2021018017-A1	Pyrimidine compound acting on egfr and erbb2	20190726
WO-2021013371-A1	Process for dyeing textiles	20190722
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524
WO-2020196542-A1	Polishing composition, polishing method, and method for producing substrate	20190327
US-2020263056-A1	Polishing composition and polishing method	20190219

PMID	Publication Date	Title	Journal
16408008	20050701	Chemical inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury	Nature chemical biology
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
15163202	20040603	Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): 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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0188769
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4