7-Iodoindole - CAS 89976-15-8

Catalog:	BB039717
Product Name:	7-Iodoindole
CAS:	89976-15-8
Synonyms:	7-iodo-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-iodo-1H-indole
Description:	7-Iodoindole (CAS# 89976-15-8 ) is a useful research chemical.
Molecular Weight:	243.04
Molecular Formula:	C8H6IN
Canonical SMILES:	C1=CC2=C(C(=C1)I)NC=C2
InChI:	InChI=1S/C8H6IN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChI Key:	VBKAPLYISDSUCE-UHFFFAOYSA-N
Boiling Point:	341.705 °C at 760 mmHg
Density:	1.961 g/cm³
Appearance:	White to tan solid
LogP:	2.77250

Publication Number	Title	Priority Date
KR-102175379-B1	Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device	20200826
CN-111423441-A	Halogenated indole matrine derivative with anti-tumor activity and preparation method and application thereof	20200320
CN-111423441-B	Halogenated indole matrine derivative with anti-tumor activity and preparation method and application thereof	20200320
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021008607-A1	Substituted 1,2,4-triazolo[4,3-a]pyridine derivative and preparation method, herbicidal composition and application thereof	20190718

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.95450
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.95450
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8