120-72-9
Product Name:
Indole
Formula:
C8H7N
Synonyms:
1H-Benzo[b]pyrrole;2,3-Benzopyrrole;Indole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to yellowish solid with an unpleasant odor; Pleasant odor in dilute solutions; Turns red when exposed to light or air; [Hawley] White or yellow crystalline powder; [MSDSonline] |
|---|---|
| Color/Form | LEAFLETS (WATER, PETROLEUM), CRYSTALS (ETHER) |
| Odor | ALMOST FLORAL ODOR WHEN HIGHLY PURIFIED, OTHERWISE EXHIBITS CHARACTERISTIC ODOR OF FECES |
| Boiling Point | 254 °C |
| Melting Point | 52.5 °C |
| Solubility | 3560 mg/L (at 25 °C) |
| Density | 1.22 g/cu m at 25 °C |
| Vapor Pressure | 0.01 [mmHg] |
| LogP | 2.14 |
| LogS | -1.52 |
| Stability/Shelf Life | NOT VERY STABLE ON EXPOSURE TO LIGHT (TURNS RED) |
| Heat of Combustion | 3.650 kJ/kg at 25 °C |
| Dissociation Constants | pKa (basic)= -2.4 |
| Collision Cross Section | 121 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1265 1276 1244.3 1257 1305 1263 1273 1291 1303 1255.9 1281.1 1260 1263 1273 1274 1276 1296 1310 1255 1255 1279 1292 1298 1298 1278 1255 1256 1260 1304 1277 1248 1276 1282 1269 1267.2 1260 1260 1271.1 1304 1270.4 1275.2 1265.4 1264 1265 1248 1266.1 1250 1304 1277 1304 1276 1248 1276 1292.6 |
| Other Experimental Properties | CONGEALING POINT: MORE THAN 51 °C (AFTER BEING DRIED OVER SULFURIC ACID) |
| Chemical Classes | Nitrogen Compounds -> Indoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H319:Serious eye damage/eye irritation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 117.15 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 117.057849228 g/mol |
| Monoisotopic Mass | 117.057849228 g/mol |
| Topological Polar Surface Area | 15.8 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Indole is used in perfumery and in making tryptophan, an essential amino acid, and indoleacetic acid (heteroauxin), a hormone that promotes the development of roots in plant cuttings.