Basic information
- CAS
19867-89-1- Standard SMILES
Clc1ccc(-c2ccc[nH]2)cc1- InChIKey
BSJURRCNZZFQBW-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.03452694
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1h-pyrrole
- IUPAC
- 2-(4-chlorophenyl)-1H-pyrrole
- English name
- 2-(4-CHLORO-PHENYL)-1H-PYRROLE
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
2-(4-chlorophenyl)-1h-pyrrole19867-89-1DTXSID30297603RefChem:252172DTXCID202487402-(4-chlorophenyl)pyrrole1H-Pyrrole, 2-(4-chlorophenyl)-MFCD00963557NSC1167992-(p-chlorophenyl)pyrroleSCHEMBL198093SCHEMBL699146
Show more names
2-(4-CHLORO-PHENYL)-1H-PYRROLE
SCHEMBL8919948SCHEMBL10880693BSJURRCNZZFQBW-UHFFFAOYSA-NAKOS001612978NSC-116799SY129890CS-0336583EU-0002071
Database identifiers
- CAS
19867-89-1- PubChem CID
- 272428
- DTXSID
DTXSID30297603- Nikkaji
- J519.338I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 331.7 · 331.7±17.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 16.49 · 16.49±0.50(Predicted)
Chemistry & industry
Suppliers9 total
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
10 records
Compound notes
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