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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 138363Generated: October 23, 2026

4-Methoxy-1H-indole

4-METHOXY-1H-INDOLE · AKOS JY2082619 · 4-METHOXYINDOLE · 4-METHOXYLINDOLE · Methoxyindole,98% · Indole, 4-methoxy- · 4-Methoxyindole>4-Methoxyindole,99% · 4-Methoxyindole 99%

https://huagongshe.com/en/chemical/138363

4-Methoxy-1H-indole molecular structure

Identifiers & Physical Properties

CAS No.4837-90-5
Molecular formulaC9H9NO
Average molar mass147.17 g/mol
Monoisotopic mass147.06841391 g/mol
SMILESCOc1cccc2[nH]ccc12
InChIKeyLUNOXNMCFPFPMO-UHFFFAOYSA-N
PubChem CID138363
ChEMBLCHEMBL2018155
EC No.622-799-0
DTXSIDDTXSID00197500

Chemical & Physical Properties

XLogP2.7
Topological polar surface area25
Hydrogen bond donors1
Hydrogen bond acceptors1
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity138
Physical DescriptionOff-white powder[Sigma-Aldrich MSDS]
Kovats Retention Index2114
Melting point69-70 °C (lit.)
Boiling point181-183 °C/24 mmHg (lit.)
Density1.1135 (rough estimate)
Refractive index1.5310 (estimate)
Flash point181-183°C/24mm
Storage conditionsKeep in dark place,Inert atmosphere,Room temperature
Solubilityethanol: soluble50mg/mL, clear, faintly yellow
pKa (acidity coefficient)17.22±0.30(Predicted)
Physical stateCrystalline Powder and/or Chunks
ColorWhite
SensitivityLight Sensitive
BRN122456
InChI1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
InChIKeyLUNOXNMCFPFPMO-UHFFFAOYSA-N
SMILESCOc1cccc2[nH]ccc12
LogP (partition coefficient)2.060 (est)
CAS DataBase Reference4837-90-5(CAS DataBase Reference)
NIST Chemistry Reference1H-Indole, 4-methoxy-(4837-90-5)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)26-36-24/25
Water hazard class (WGK)3
Hazard NoteIrritant/Keep Cold
Hazard classKEEP COLD, LIGHT SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3
Customs code29339900
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazards summaryAn irritant[Sigma-Aldrich MSDS] See 3-Methylindole.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
Customs code29339900
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
hazard_noteIrritant/Keep Cold
Safety statements (S)26-36-24/25
Hazard classKEEP COLD, LIGHT SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P305+P351+P338

Applications & Uses

Uses

4-Methoxyindole is a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers.