Isoindoline - CAS 496-12-8
Catalog: |
BB026752 |
Product Name: |
Isoindoline |
CAS: |
496-12-8 |
Synonyms: |
1H-Isoindole, 2,3-dihydro-; 1,3-Dihydro-2H-isoindole; 1,3-Dihydroisoindole; 2-Azaindan |
IUPAC Name: | 2,3-dihydro-1H-isoindole |
Description: | Isoindoline (CAS# 496-12-8) is a useful research chemical used in the preparation of guanidines by nucleophilic addition of amine N-H bonds to carbodiimides. |
Molecular Weight: | 119.16 |
Molecular Formula: | C8H9N |
Canonical SMILES: | C1C2=CC=CC=C2CN1 |
InChI: | InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2 |
InChI Key: | GWVMLCQWXVFZCN-UHFFFAOYSA-N |
Boiling Point: | 126-127°C at 18 Torr |
Melting Point: | 17°C |
Purity: | ≥95% |
Density: | 1.05 g/cm3 |
Appearance: | White to Off-white Crystalline Powder, Crystals or Flakes |
Storage: | Store at 2-8°C |
MDL: | MFCD00605324 |
LogP: | 1.61860 |
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-2021121282-A1 | Preparation and application of class of n-containing heterocyclic compounds with immunomodulatory function | 20191217 |
WO-2021126729-A1 | Prmt5 inhibitors | 20191217 |
WO-2021126973-A1 | Compounds modulating protein recruitment and/or degradation | 20191217 |
WO-2021115413-A1 | Neuromuscular-blocking drug and preparation method therefor | 20191211 |
WO-2021099510-A1 | Dyeing or lightening process using a hand-held styling device and a substrate | 20191120 |
PMID | Publication Date | Title | Journal |
23124463 | 20121101 | Sulfonate pseudohalides of boron subphthalocyanine | Acta crystallographica. Section C, Crystal structure communications |
22969521 | 20120901 | N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro-5'-hy-droxy-1,1':3',1''-terphenyl-4'-carboxamide | Acta crystallographica. Section E, Structure reports online |
22532461 | 20120611 | Computational design of cyclic nitroxides as efficient redox mediators for dye-sensitized solar cells | Chemistry (Weinheim an der Bergstrasse, Germany) |
22719570 | 20120601 | 2-Benzyl-3-hy-droxy-3-methyl-2,3-dihydro-1H-isoindol-1-one | Acta crystallographica. Section E, Structure reports online |
22500854 | 20120504 | Rhodium-catalyzed synthesis of branched amines by direct addition of benzamides to imines | Organic letters |
Complexity: | 88.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Indoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS