CAS 933-67-5 7-Methylindole (HCID 70275)

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Basic information

CAS: 933-67-5
Standard SMILES: Cc1cccc2cc[nH]c12
InChIKey: KGWPHCDTOLQQEP-UHFFFAOYSA-N
Molecular formula: C9H9N
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.07349929

Overview

structure in first source

Names & identifiers

Preferred name: 7-Methylindole
IUPAC: 7-methyl-1H-indole
English name: 7-Methylindole
Molecular formula: C9H9N
Molecular weight: 131.17

Names & synonyms

7-Methylindole933-67-5NSC-6187Z1E6HIT9SDTXSID60239374RefChem:546873DTXCID80161865213-270-17-Methyl-1H-indole1H-Indole, 7-methyl-7-MethylindolIndole, 7-methyl-

Show more names

7-METHYL-1-NAPHTHOL7-Metylindole7-METHYINDOLE-Methylindole7-Metlylindole

7-methyl-indoleMFCD00005684NSC 6187-Methyl-1H-indole #CHEMBL326430NSC618AB2914CS-W007670

Database identifiers

CAS: 933-67-5
PubChem CID: 70275
DTXSID: DTXSID60239374
ChEMBL: CHEMBL326430
UNII: 7Z1E6HIT9S
EC Number: 213-270-1
Nikkaji: J147.227E

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Indoles

LogP2.56

Vapor Pressure0.00603 [mmHg]

Physical DescriptionVery faintly beige fine plates; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 80 · 80-84 °C (lit.)
Boiling point: 266 °C · 266 °C (lit.)
Density: 1.0202 · 1.0202
refractive index: 1.607 · 1.6070 (estimate)
Flash point: 266 °C · 266°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline
pka: 17.3 · 17.30±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.