CAS 875-79-6 1,2-Dimethylindole (HCID 13408)

Names & identifiers

Preferred name: 1,2-Dimethylindole
IUPAC: 1,2-dimethylindole
English name: 1,2-Dimethylindole
Molecular formula: C10H11N
Molecular weight: 145.2

Names & synonyms

1,2-DIMETHYLINDOLE875-79-61,2-Dimethyl-1H-indoleN-Methyl-2-methylindoleIndole, 1,2-dimethyl-1H-Indole, 1,2-dimethyl-H373TS720OEINECS 212-877-9NSC-62087DTXSID00236367NSC 620871,2dimethylindole

Show more names

Dimethylindole1,2-Dimethylindole >1,2-Dimethylindole 99%

NMethyl2methylindoleIndole, 1,2dimethyl1HIndole, 1,2dimethylRefChem:411787Indole, 1,2dimethyl (8CI)Indole, 1,2-dimethyl-(8CI)1HIndole, 1,2dimethyl (9CI)DTXCID00158858

Database identifiers

CAS: 875-79-6
PubChem CID: 13408
DTXSID: DTXSID00236367
ChEMBL: CHEMBL3252124
UNII: H373TS720O
EC Number: 212-877-9
Nikkaji: J26.025H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Indoles

Vapor Pressure0.01 [mmHg]

Physical DescriptionLight yellow crystalline powder; [TCI America MSDS]

Physicochemical properties

Melting point: 55 · 55-58 °C (lit.)
Boiling point: 143 °C · 143 °C / 30mmHg
Density: 0.99 · 0.99±0.1 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
color: White to Light yellow to Light orange
Stability: Stable, but light sensitive. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3
InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C=C1C
CAS DataBase Reference: 875 · 875-79-6(CAS DataBase Reference)
FDA UNII: 373 TS720O · H373TS720O
NIST Chemistry Reference: 1 H-indole, · 1H-indole, 1,2-dimethyl-(875-79-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Hazard information

Hazards SummaryMay cause irritation; [TCI America MSDS] See 3-Methylindole.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29339900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesBuilding block for preparation of 3-functionalized indoles Building block for preparation carbazoles Building block for preparation of cyanoindoles Reactant for preparation of trifluoromethylindoles Reactant for preparation of potent antihyperlipidemic agents Building block in iso-Nazarov or Nazarov cyclizations Reactant for preparation of GSK-3 inhibitors Building block for preparation of carboxyindoles Reactant for preparation of plant growth promoters Reactant for preparation of tryptophan derivatives.

UsesBuilding block for preparation of 3-functionalized indolesBuilding block for preparation carbazolesBuilding block for preparation of cyanoindolesReactant for preparation of trifluoromethylindolesReactant for preparation of potent antihyperlipidemic agentsBuilding block in iso-Nazarov or Nazarov cyclizationsReactant for preparation of GSK-3 inhibitorsBuilding block for preparation of carboxyindolesReactant for preparation of plant growth promotersReactant for preparation of tryptophan derivatives