7-Ethylindole

HCID 2724711CAS 22867-74-9

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cccc2cc[nH]c12
InChIKey: PIIZLMYXLGYWTN-UHFFFAOYSA-N
Molecular formula: C10H11N
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.08914935

Names & identifiers

Preferred name: 7-Ethylindole
IUPAC: 7-ethyl-1H-indole
English name: 7-Ethylindole
Molecular formula: C10H11N
Molecular weight: 145.2

Names & synonyms

7-Ethylindole22867-74-9DTXSID70369212RefChem:106077DTXCID30320248682-584-2PIIZLMYXLGYWTN-UHFFFAOYSA-N7-ethyl-1H-indole1H-Indole, 7-ethyl-MFCD001435147-Ethyl indole7-Ethylindole, 98%

Show more names

7-ETHYLCAMPTOTHECIN7-Ethyindole7-ETHYL-INDOL7-Ethylindole,97%7-Ethylindole,98+%TIMTEC-BB SBB0075737-Ethylindole, 97% 25GR7-Ethylindole in stock Factory

SCHEMBL593512orb3030614SCHEMBL1092191SCHEMBL7279169SCHEMBL8040462SCHEMBL8040464SCHEMBL10971370Fr13622

Database identifiers

CAS: 22867-74-9
PubChem CID: 2724711
DTXSID: DTXSID70369212
EC Number: 682-584-2
Nikkaji: J1.282.473D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 82.5 °C · 82.5°C (estimate)
Boiling point: 230 °C · 230 °C
Density: 1.058 g/mL · 1.058 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.603
Flash point: 230 °C · 230°C
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 17.3 · 17.30±0.30(Predicted)
form: Oil
color: Clear Colorless to Light Brown
Specific Gravity: 1.058 · 1.058
Water Solubility: INSOLUBLE
BRN: 1238356 · 1238356
InChI: InChI=1S/C10H11N/c1-2-8-4-3-5-9-6-7-11-10(8)9/h3-7,11H,2H2,1H3
InChIKey: PIIZLMYXLGYWTN-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2CC)C=C1
CAS DataBase Reference: 22867 · 22867-74-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
HS Code: 29339980 · 29339980

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (15.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (15.4%)

Safety data

wgk: 3
hs_code: 29339980
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses7-Ethylindole is a useful intermediate for etodolac derivative synthesis. It is also used in preparation of benzoheterocycles using butoxy-dihydrofurans as [4+2] benzannulation reagents.