4,6-Dichloroindole - CAS 101495-18-5

Catalog:	BB000521
Product Name:	4,6-Dichloroindole
CAS:	101495-18-5
Synonyms:	4,6-dichloro-1H-indole; 4,6-dichloro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloro-1H-indole
Description:	4,6-Dichloroindole (CAS# 101495-18-5) is a dichlorinated indole used in the preparation of various biologically active compounds such as trypase inhibitors and inhibitors of serotonin, norepinephrine, and dopamine reuptake.
Molecular Weight:	186.04
Molecular Formula:	C8H5Cl2N
Canonical SMILES:	C1=CNC2=CC(=CC(=C21)Cl)Cl
InChI:	InChI=1S/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChI Key:	NIXGYRHZQFZCCV-UHFFFAOYSA-N
Boiling Point:	328.1 °C at 760 mmHg
Density:	1.479 g/cm³
LogP:	3.47470

Publication Number	Title	Priority Date
CN-109721523-A	A kind of indolin derivatives and preparation method thereof	20181224
US-2020140412-A1	Rock kinase inhibitors	20181106
US-10745381-B2	Substituted isoquinolines and phthalazines as rock kinase inhibitors	20181106
US-2020262844-A1	Rock kinase inhibitors	20181106
CN-113227054-A	ROCK kinase inhibitors	20181106

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Related Functional Groups

Indoles

[89908-23-6]
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7-Methoxy-1H-indole-3-carbaldehyde
[365547-91-7]
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[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.9799046
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.9799046
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3