1-(4-Chlorophenyl)-1H-pyrrole - CAS 5044-38-2
Catalog: |
BB027061 |
Product Name: |
1-(4-Chlorophenyl)-1H-pyrrole |
CAS: |
5044-38-2 |
Synonyms: |
1-(4-chlorophenyl)pyrrole |
IUPAC Name: | 1-(4-chlorophenyl)pyrrole |
Description: | 1-(4-Chlorophenyl)-1H-pyrrole (CAS# 5044-38-2) is a useful research chemical. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | C1=CN(C=C1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H |
InChI Key: | LTOQUFIOYDCJFJ-UHFFFAOYSA-N |
Boiling Point: | 200-203 °C (95.2627 mmHg) |
Density: | 1.13 g/cm3 |
Appearance: | Yellowish crystalline powder |
MDL: | MFCD00047067 |
LogP: | 3.13070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021100699-A1 | Black particles, black coating material, coating film, and black matrix for color filters | 20191118 |
EP-3176161-A1 | Buchwald-hartwig arylation method for the preparation of tertiary amines | 20151202 |
EP-3383861-A2 | Arylation method | 20151202 |
JP-2019500339-A | Arylation method | 20151202 |
KR-20180088724-A | Buchwald-Hartbein arylation method for the preparation of tertiary aryl amines | 20151202 |
PMID | Publication Date | Title | Journal |
15823507 | 20050525 | Theaflavin derivatives in black tea and catechin derivatives in green tea inhibit HIV-1 entry by targeting gp41 | Biochimica et biophysica acta |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0345270 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 4.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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Related Functional Groups
Pyrroles
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