4-Nitroindoline - CAS 84807-26-1

Catalog:	BB037316
Product Name:	4-Nitroindoline
CAS:	84807-26-1
Synonyms:	4-nitro-2,3-dihydro-1H-indole; 4-nitro-2,3-dihydro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-nitro-2,3-dihydro-1H-indole
Description:	4-Nitroindoline (CAS# 84807-26-1) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C8H8N2O2
Canonical SMILES:	C1CNC2=C1C(=CC=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-3,9H,4-5H2
InChI Key:	VTQFDUKXUFJCAO-UHFFFAOYSA-N
Boiling Point:	307.586 °C at 760 mmHg
Density:	1.299 g/cm³
LogP:	2.22400

Publication Number	Title	Priority Date
CN-111362857-A	Compound with indoline skeleton, preparation method and medical application thereof	20200423
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
CN-110423211-A	A kind of preparation method for being adapted to industrialized production of 4- oxyindole	20190812
CN-110272323-A	A kind of microwave assisted synthesizing method of ethylation reaction	20190705
CN-109928972-A	A kind of matrine derivative and its application in drug	20190319

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[350683-40-8]
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[930790-08-2]
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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:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.058577502
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.058577502
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8