2,3-Dihydro-1H-indene-1-carbonitrile - CAS 26452-97-1

Catalog:	BB019287
Product Name:	2,3-Dihydro-1H-indene-1-carbonitrile
CAS:	26452-97-1
Synonyms:	2,3-dihydro-1H-indene-1-carbonitrile; 2,3-dihydro-1H-indene-1-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-dihydro-1H-indene-1-carbonitrile
Description:	2,3-Dihydro-1H-indene-1-carbonitrile (CAS# 26452-97-1) is a useful research chemical.
Molecular Weight:	143.19
Molecular Formula:	C10H9N
Canonical SMILES:	C1CC2=CC=CC=C2C1C#N
InChI:	InChI=1S/C10H9N/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-6H2
InChI Key:	CAFXXESJSIBJBZ-UHFFFAOYSA-N
Boiling Point:	289.1 °C at 760 mmHg
Density:	1.09 g/cm³
LogP:	2.23998

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.073499291
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2