1,3,5-Tris(4-aminophenyl)benzene - CAS 118727-34-7
Catalog: |
BB004244 |
Product Name: |
1,3,5-Tris(4-aminophenyl)benzene |
CAS: |
118727-34-7 |
Synonyms: |
4-[3,5-bis(4-aminophenyl)phenyl]aniline; 4-[3,5-bis(4-aminophenyl)phenyl]aniline |
IUPAC Name: | 4-[3,5-bis(4-aminophenyl)phenyl]aniline |
Description: | 1,3,5-Tris(4-aminophenyl)benzene (CAS# 118727-34-7) is a useful reagent for catalytic asymmetric synthesis of chiral covalent compounds. |
Molecular Weight: | 351.45 |
Molecular Formula: | C24H21N3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N |
InChI: | InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2 |
InChI Key: | QHQSCKLPDVSEBJ-UHFFFAOYSA-N |
Boiling Point: | 576.3±45.0 °C (Predicted) |
Melting Point: | 165 °C |
Purity: | > 93.0 % (T) (HPLC) |
Density: | Air Sensitive |
Appearance: | White to brown powder to crystal |
Storage: | Store under inert gas |
LogP: | 7.17780 |
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 |
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PMID | Publication Date | Title | Journal |
17912412 | 20071021 | Control of ionic conductivity of ionic liquid/photoresponsive poly(amide acid) gels by photoirradiation | Chemical communications (Cambridge, England) |
17705307 | 20070101 | Multicomponent dynamic covalent assembly of a rhombicuboctahedral nanocapsule | Chemistry (Weinheim an der Bergstrasse, Germany) |
17037872 | 20060801 | Triphenyl benzene-bridged fluorescent silsesquioxane: shape-controlled hybrid silicas by hydrolytic conditions | Journal of nanoscience and nanotechnology |
16470770 | 20060412 | Helical stacking tuned by alkoxy side chains in pi-conjugated triphenylbenzene discotic derivatives | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 351.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 351.173547683 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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