Basic information
- CAS
32570-14-2- Standard SMILES
Cc1ccc(C)n1-c1cccc(Cl)c1- InChIKey
BIBIJBWTHPHLNZ-UHFFFAOYSA-N- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0658271
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole
- IUPAC
- 1-(3-chlorophenyl)-2,5-dimethylpyrrole
- English name
- 1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole
- Molecular formula
- C12H12ClN
- Molecular weight
- 205.68
Names & synonyms
1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole32570-14-2RefChem:2243091-(3-chlorophenyl)-2,5-dimethylpyrroleMFCD03576678SCHEMBL5083720DTXSID401266132STK195502AKOS000331726ST0863121-(3-chlorophenyl)-2,5-dimethyl-pyrroleN-(3'-chlorophenyl)-2,5-dimethylpyrrole
Show more names
1H-Pyrrole, 1-(3-chlorophenyl)-2,5-dimethyl-
CS-0192224H69105AM-879/40177453
Database identifiers
- CAS
32570-14-2- PubChem CID
- 4763641
- DTXSID
DTXSID401266132- Nikkaji
- J1.101.984F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 314.3 · 314.3±30.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- -3.19 · -3.19±0.70(Predicted)
- 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
Chemistry & industry
Suppliers6 total
南京代盟化工有限公司02566880956 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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