Basic information
- Standard SMILES
COc1cccc2[nH]ccc12- InChIKey
LUNOXNMCFPFPMO-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 4-Methoxy-1H-indole
- IUPAC
- 4-methoxy-1H-indole
- English name
- 4-Methoxyindole
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
4-Methoxyindole4-Methoxy-1H-indoleLUNOXNMCFPFPMO-UHFFFAOYSA-DTXSID001975001HIndole, 4methoxyRefChem:524489DTXCID70119991622-799-0InChI=1/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H34837-90-51H-Indole, 4-methoxy-MFCD00009737
Show more names
AKOS JY20826194-METHOXYLINDOLEMethoxyindole,98%4-Methoxyindole>4-Methoxyindole,99%4-Methoxyindole 99%4-METHOXYINDOLE 98+%
1H-Indol-4-yl methyl ether4-methoxy-indoleIndole, 4-methoxy-CS-W008893PB19861AC-23013SY001984EN300-96752
Database identifiers
- CAS
4837-90-5- PubChem CID
- 138363
- DTXSID
DTXSID00197500- ChEMBL
CHEMBL2018155- EC Number
- 622-799-0
- Nikkaji
- J236.391G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]
Kovats Retention Index2114
Physicochemical properties
- Melting point
- 69 · 69-70 °C (lit.)
- Boiling point
- 181 · 181-183 °C/24 mmHg (lit.)
- Density
- 1.1135 · 1.1135 (rough estimate)
- refractive index
- 1.531 · 1.5310 (estimate)
- Flash point
- 181 · 181-183°C/24mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 50 mg/mL, · ethanol: soluble50mg/mL, clear, faintly yellow
- pka
- 17.22 · 17.22±0.30(Predicted)
- form
- Crystalline Powder and/or Chunks
- color
- White
- Sensitive
- Light Sensitive
- BRN
- 122456 · 122456
- InChI
- 1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
- InChIKey
- LUNOXNMCFPFPMO-UHFFFAOYSA-N
- SMILES
- COc1cccc2[nH]ccc12
- LogP
- 2.06 · 2.060 (est)
- CAS DataBase Reference
- 4837 · 4837-90-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 H-Indole, · 1H-Indole, 4-methoxy-(4837-90-5)
- 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 · 26-36-24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Keep Cold
- HazardClass
- KEEP COLD, 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
Warning
H315 (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 exposure; Respiratory 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.
Hazard information
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%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 26-36-24/25
- hazard_class
- KEEP COLD, 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
Uses4-Methoxyindole is a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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科瑞迪化学400-821-5857 021-64326257 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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上海隆盛化工有限公司58099637 13585536065 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
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上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
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上海卓因生物科技有限公司021-61317773 · [email protected]
嘉兴诺华化工有限公司18957373295
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
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Related reactions
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