5,6-Dichloroindole - CAS 121859-57-2

Catalog:	BB053735
Product Name:	5,6-Dichloroindole
CAS:	121859-57-2
Synonyms:	5,6-Dichloroindole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5,6-dichloro-1H-indole
Molecular Weight:	186.04
Molecular Formula:	C8H5Cl2N
Canonical SMILES:	C1=CNC2=CC(=C(C=C21)Cl)Cl
InChI:	InChI=1S/C8H5Cl2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:	ILINOHVVKWYAFM-UHFFFAOYSA-N
Boiling Point:	331.3±22.0 °C at 760 mmHg
Purity:	>98% by GC
Density:	1.5±0.1 g/cm3
Appearance:	White to Pale Yellow Powder

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Related Functional Groups

Halides

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1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid
[1670-81-1]
Indole-5-carboxylic acid
[142396-03-0]
Indole-5-carboxylic acid, radical ion(1+)
[496-15-1]
Indoline

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (90.48%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3