4-Chloro-1-methyl-1H-indole
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Basic information
- CAS
77801-91-3- Standard SMILES
Cn1ccc2c(Cl)cccc21- InChIKey
WUFPOENCCOPNCC-UHFFFAOYSA-N- Molecular formula
- C9H8ClN
- Average molar mass
- 165.62 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-1-methyl-1H-indole
- IUPAC
- 4-chloro-1-methylindole
- English name
- 4-Chloro-1-methyl-1H-indole
- Molecular formula
- C9H8ClN
- Molecular weight
- 165.62
Names & synonyms
4-Chloro-1-methyl-1H-indole77801-91-34-Chloro-1-methylindole1H-Indole, 4-chloro-1-methyl-4-Chloro-1-methyl-indoleMFCD13178459N-methyl 4-chloro indole1-methyl-4-chloro-1H-indole4-chloro-1-methyl 1H-indoleSCHEMBL1092615SCHEMBL3964359SCHEMBL4851688
Show more names
WUFPOENCCOPNCC-UHFFFAOYSA-NAS-94580DA-02859F88252F935365
Database identifiers
- CAS
77801-91-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 278.4 · 278.4±13.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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