5-Nitroindoline - CAS 32692-19-6

Catalog:	BB021368
Product Name:	5-Nitroindoline
CAS:	32692-19-6
Synonyms:	5-nitro-2,3-dihydro-1H-indole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-nitro-2,3-dihydro-1H-indole
Description:	5-Nitroindoline (CAS# 32692-19-6) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C8H8N2O2
Canonical SMILES:	C1CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
InChI Key:	WJQWYAJTPPYORB-UHFFFAOYSA-N
Melting Point:	92-94 °C (lit.)
Purity:	95 %
Density:	1.298 g/cm³
Appearance:	Brown powder
MDL:	MFCD00005709
LogP:	2.22400

Publication Number	Title	Priority Date
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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

Indolines

[1176740-73-0]
5-(2,6-Dimethylphenyl)indoline
[845655-53-0]
6-Methyl-2-oxoindoline-3-carbaldehyde
[1002309-19-4]
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
[54574-00-4]
3-4-(diethylamino)-2-ethoxyphenyl-3-(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone
[913240-15-0]
6-Fluoro-1-methylindolin-2-one
[142199-90-4]
1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)-2-methylphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-

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:	2.1