1H-indole

CAS No. 120-72-9

Formula: C8H7N
Basic Info

Indole is an aromatic heterocyclic organic compound with formula C8H7N. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Indole is widely distributed in the natural environment and can be produced by a variety of bacteria. As an intercellular signal molecule, indole regulates various aspects of bacterial physiology, including spore formation, plasmid stability, resistance to drugs, biofilm formation, and virulence. The amino acid tryptophan is an indole derivative and the precursor of the neurotransmitter serotonin.

Formula
C8H7N
Molecular Weight
117.148
Exact Mass
117.058
LogP
2.1679
PSA
15.79
Synonyms

1H-Benzo[b]pyrrole

1-Azaindene

Ketole

indole

Benzopyrrole

2,3-Benzopyrole

1H-Indole

2,3-Benzopyrrole

1-Benzazole

Indol

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Properties
Appearance & Physical State
white crystals with an unpleasant odour
Density
1.22
Boiling Point
253-254ºC
Melting Point
51-54ºC
Flash Point
136ºC
Refractive Index
1.68
Water Solubility
2.80 g/L (25 ºC)
Stability
Stable, but may be light or air sensitive. Incompatible with strong oxidizing agents, iron and iron salts.
Storage Condition
2-8ºC
Vapor Pressure
0.0298mmHg at 25°C
Safety Info
RTECS
NL2450000
Safety Statements
S26-S36/37/39
WGK Germany
1
Risk Statements
R21/22; R36
HS Code
2933990090
RIDADR
UN 2811 6.1/PG 3
Hazard Class
9
Packing Group
III
Caution Statement
P261; P273; P280; P305 + P351 + P338; P312
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass spectrum (electron ionization)
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UV Spectrum UV/Visible spectrum
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Rodent - rabbit
Dose/Duration
750 ug/24H
Toxic Effects
--
Reference
Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,820,1986
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
1 gm/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
1070 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985

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