Basic information
- CAS
40756-71-6- Standard SMILES
COc1ccccc1-c1cc2ccccc2[nH]1- InChIKey
GYUBKMFGRAIVMZ-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Overview
2-(2-methoxyphenyl)-1H-indole is a phenylindole.
Names & identifiers
- Preferred name
- 1H-2-(2-Methoxyphenyl)indole
- IUPAC
- 2-(2-methoxyphenyl)-1H-indole
- English name
- 2-(2-Methoxyphenyl)-1H-indole
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
40756-71-6RefChem:4379781H-2-(2-Methoxyphenyl)indole631-020-32-(2-methoxyphenyl)-1H-indole2-(1H-indol-2-yl)phenyl methyl etherSMR000114556MLS0005471946-methoxyphenylindolecid_901191SCHEMBL5634916SCHEMBL7450091
Show more names
OTAVA-BB 12015351H-INDOLE, 2-(2-METHOXYPHENYL)-
CHEMBL1449007SCHEMBL31053096BDBM68671CHEBI:120522GYUBKMFGRAIVMZ-UHFFFAOYSA-NHMS2351F15MFCD05155618STK166477
Database identifiers
- CAS
40756-71-6- PubChem CID
- 901191
- ChEMBL
CHEMBL1449007- ChEBI
CHEBI:120522- EC Number
- 631-020-3
- Nikkaji
- J773.009H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 387.8 · 387.8±17.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 16.79 · 16.79±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H318-H335-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H302-H318-H335-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 2-(2-methoxyphenyl)-1H-indole is a phenylindole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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