Cas no 106215-23-0 (2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-)
106215-23-0 structure
Product Name:2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
CAS No:106215-23-0
MF:C28H31Cl3O6
MW:569.901146173477
CID:150042
PubChem ID:69982310
Update Time:2025-04-19
2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
- 1-[2-[bis[2-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]-3-chloropropan-2-ol
- 1,1',1''-<wbr>
- 2-propano<wbr>
- LogP
- 106215-23-0
- DTXSID60888826
- 2-Propanol, 1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
- SCHEMBL7082820
-
- Inchi: 1S/C28H31Cl3O6/c29-13-22(32)16-35-25-7-1-19(2-8-25)28(20-3-9-26(10-4-20)36-17-23(33)14-30)21-5-11-27(12-6-21)37-18-24(34)15-31/h1-12,22-24,28,32-34H,13-18H2
- InChI Key: BMCHNXZMPHBFCY-UHFFFAOYSA-N
- SMILES: ClCC(COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OCC(CCl)O)C1C=CC(=CC=1)OCC(CCl)O)O
Computed Properties
- Exact Mass: 568.11883
- Monoisotopic Mass: 568.118622g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 37
- Rotatable Bond Count: 15
- Complexity: 512
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 88.4?2
Experimental Properties
- Density: 1.32
- Boiling Point: 758.2°C at 760 mmHg
- Flash Point: 412.4°C
- Refractive Index: 1.596
- PSA: 88.38
- LogP: 4.80230
2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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