Indole

Indole
Names
	Preferred IUPAC name 1H-Indole
	Other names 2,3-Benzopyrrole, ketole,; 1-benzazole
Identifiers
CAS Number	120-72-9 ;
3D model (JSmol)	Interactive image;
3DMet	B01251;
Beilstein Reference	107693
ChEBI	CHEBI:16881 ;
ChEMBL	ChEMBL15844 ;
ChemSpider	776 ;
DrugBank	DB04532;
ECHA InfoCard	100.004.019
EC Number	204-420-7;
Gmelin Reference	3477
KEGG	C00463 ;
PubChem CID	798;
RTECS number	NL2450000;
UNII	8724FJW4M5 ;
CompTox Dashboard (EPA)	DTXSID0020737 ;
	InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H Key: SIKJAQJRHWYJAI-UHFFFAOYSA-N ; InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H Key: SIKJAQJRHWYJAI-UHFFFAOYAI;
	SMILES C12=C(C=CN2)C=CC=C1;
Properties
Chemical formula	C8H7N
Molar mass	117.151 g·mol−1
Appearance	White solid
Odor	Feces or jasmine like
Density	1.1747 g/cm3, solid
Melting point	52 to 54 °C (126 to 129 °F; 325 to 327 K)
Boiling point	253 to 254 °C (487 to 489 °F; 526 to 527 K)
Solubility in water	0.19 g/100 ml (20 °C); Soluble in hot water
Acidity (pKa)	16.2; (21.0 in DMSO)
Basicity (pKb)	17.6
Magnetic susceptibility (χ)	-85.0·10−6 cm3/mol
Structure
Crystal structure	Pna21
Molecular shape	Planar
Dipole moment	2.11 D in benzene
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Skin sensitising
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H302, H311
Precautionary statements	P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P361, P363, P405, P501
Flash point	121 °C (250 °F; 394 K)
Safety data sheet (SDS)
Related compounds
Other cations	Indolium
Related aromatic; compounds	benzene, benzofuran,; carbazole, carboline,; indene, benzothiophene,; indoline,; isatin, methylindole,; oxindole, pyrrole,; skatole, benzophosphole
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Indole is an organic compound with the formula C₆H₄CCNH₃. Indoles are derivatives of indole where one or more H's have been replaced by other groups. Indole is classified as an aromatic heterocycle. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered pyrrole ring. Indoles are widely distributed in nature, most notably as amino acid tryptophan and neurotransmitter serotonin.

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