Basic information
- CAS
61019-05-4- Standard SMILES
COc1cc(C)c2[nH]ccc2c1- InChIKey
YGPVRHHGKCQSIL-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 5-Methoxy-7-methyl-1H-indole
- IUPAC
- 5-methoxy-7-methyl-1H-indole
- English name
- 5-Methoxy-7-methyl-1H-indole
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
5-Methoxy-7-methyl-1H-indole61019-05-4DTXSID80491730RefChem:303833DTXCID80442540894-438-75-Methoxy-7-methylindoleMFCD090270221H-Indole, 5-methoxy-7-methyl-5-methoxy7-methyl-1H-indoleSCHEMBL5372057YGPVRHHGKCQSIL-UHFFFAOYSA-N
Show more names
EOS-60929Methylindole impurities15-Methoxy-7-methylindole,97%1,3,5-Triazine,2,4-dichloro-6-(4-pyrenyl)-5-METHOXY-7-METHYLINDOLE (Related Reference)
LCA01905AKOS006290557PB43145AS-49425SY112801DB-072887CS-0114970I10193
Database identifiers
- CAS
61019-05-4- PubChem CID
- 12338917
- DTXSID
DTXSID80491730- EC Number
- 894-438-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 100 · 100-110 °C(Press: 0.15 Torr)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 17 · 17.00±0.30(Predicted)
- Appearance
- Light brown to brown Solid
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3
- InChIKey
- YGPVRHHGKCQSIL-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C=C2C)C=C1
- CAS DataBase Reference
- 61019 · 61019-05-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses5-Methoxy-7-methylindole is employed as a intermediate for chemical research and pharmaceutical.
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
CE Pharm Co.,Ltd+86 13816833708 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
3 records
Compound notes
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