CAS 3420-02-8 1H-Indole, 6-methyl- (HCID 137928)

Overview

6-Methyl indole is a member of indoles.

Names & identifiers

Preferred name: 1H-Indole, 6-methyl-
IUPAC: 6-methyl-1H-indole
English name: 6-Methylindole
Molecular formula: C9H9N
Molecular weight: 131.17

Names & synonyms

6-Methyl-1H-indole3420-02-81H-Indole, 6-methyl-6-Methyl-H-indoleQTM6OJZ56SDTXSID00187789RefChem:438697DTXCID10110280625-234-6InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H6-Methylindole6-Methyl indole

Show more names

CP085029-16-Methyindole6-MetlylindoleAKOS JY20828116-Methylindole>6-Methylindole,99%6-METHYLINDOLE 99%

MFCD00005682Indole, 6-methyl-6-Methylindole, 97%6-Methyl-1H-indole #AKOS004116725CS-W007349HY-W007349EN300-39430

Database identifiers

CAS: 3420-02-8
PubChem CID: 137928
DTXSID: DTXSID00187789
ChEBI: CHEBI:229031
UNII: QTM6OJZ56S
EC Number: 625-234-6
Nikkaji: J45.592J

Properties

Computed structural properties

XLogP: 3.3
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

Physicochemical properties

Melting point: 29 · 29-32°C
Boiling point: 112 °C/5 · 112 °C/5 mmHg (lit.)
Density: 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.607(lit.)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: Liquid After Melting
pka: 17.36 · 17.36±0.30(Predicted)
Specific Gravity: 1.059 · 1.059
color: Clear yellow to light brown
Water Solubility: Insoluble in water.
Sensitive: Light Sensitive
BRN: 109708 · 109708
InChI: 1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
SMILES: Cc1ccc2cc[nH]c2c1
LogP: 2.6 · 2.600 (est)
CAS DataBase Reference: 3420 · 3420-02-8(CAS DataBase Reference)
FDA UNII: 6 OJZ56S · QTM6OJZ56S
NIST Chemistry Reference: 1 H-Indole, · 1H-Indole, 6-methyl-(3420-02-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
Hazard Note: Light Sensitive/Irritant/Keep Cold
HazardClass: IRRITANT, LIGHT SENSITIVE
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3334
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Light Sensitive/Irritant/Keep Cold
safety_code: 26-36
hazard_class: IRRITANT, LIGHT SENSITIVE
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses6-Methylindole was used in the synthesis of benz[c,d]indol-3(1H)-one derivatives. Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for preparation of indole linked triazole derivatives as antifungal agentsReactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetesReactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agentsReactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitorsReactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents