1-(3-chloro-4-methylphenyl)-1H-pyrrole
Basic information
- CAS
142044-87-9- Standard SMILES
Cc1ccc(-n2cccc2)cc1Cl- InChIKey
CGNNQGOLXHUUHO-UHFFFAOYSA-N- Molecular formula
- C11H10ClN
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.050177
Names & identifiers
- Preferred name
- 1-(3-chloro-4-methylphenyl)-1H-pyrrole
- IUPAC
- 1-(3-chloro-4-methylphenyl)pyrrole
- English name
- 1-(3-chloro-4-methylphenyl)pyrrole
- Molecular formula
- C11H10ClN
- Molecular weight
- 191.66
Names & synonyms
1-(3-chloro-4-methylphenyl)-1H-pyrrole142044-87-91-(3-chloro-4-methylphenyl)pyrroleMFCD026652461H-Pyrrole, 1-(3-chloro-4-methylphenyl)-SCHEMBL9042829(3-chloro-4-methylphenyl)pyrroleDTXSID501283133SBB091352STK895484AKOS001476546CS-0192149
Show more names
E89642AN-648/40859896F629934
Database identifiers
- CAS
142044-87-9- PubChem CID
- 819953
- DTXSID
DTXSID501283133
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 289.9 · 289.9±33.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- -5.72 · -5.72±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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