6-Nitroindoline - CAS 19727-83-4

Catalog:	BB015240
Product Name:	6-Nitroindoline
CAS:	19727-83-4
Synonyms:	6-nitro-2,3-dihydro-1H-indole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-nitro-2,3-dihydro-1H-indole
Description:	6-Nitroindoline (CAS# 19727-83-4) 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)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2
InChI Key:	LTNYDSMDSLOMSM-UHFFFAOYSA-N
Boiling Point:	306.6 °C at 760 mmHg
Density:	1.298 g/cm³
Appearance:	Orange to brown powder to crystal
MDL:	MFCD00005710
LogP:	2.22400

Publication Number	Title	Priority Date
CN-111100056-A	Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis	20191226
CN-111100056-B	Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis	20191226
CN-109928972-A	A kind of matrine derivative and its application in drug	20190319
CN-108586434-A	A kind of purposes of indole-2-ketone compound in antibiosis	20180504
JP-2019172575-A	Nitrogen-containing heterocyclic compound and method for producing squarylium compound	20180326

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Related Functional Groups

Indoles

[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate

Indolines

[32372-82-0]
Isoindoline hydrochloride
[1427475-17-9]
N-(3-Indolinylmethyl)benzylamine
[14204-27-4]
N-(Phenylthio)phthalimide
[261732-38-1]
N-Boc-5-bromoindoline
[98660-18-5]
BLUE 203
[350683-40-8]
Ethyl indoline-6-carboxylate

GHS Hazard Statement:	H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	1.9