Cas no 94135-13-4 (1,3-Benzenediol,1,1',1''-phosphate)
94135-13-4 structure
Product Name:1,3-Benzenediol,1,1',1''-phosphate
CAS No:94135-13-4
MF:C18H15O7P
MW:374.281266450882
CID:810670
PubChem ID:3023706
Update Time:2025-04-19
1,3-Benzenediol,1,1',1''-phosphate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,1,1',1''-phosphate
- tris(3-hydroxyphenyl) phosphate
- tris(m-hydroxyphenyl) phosphate
- UNII-WP9AVJ5G69
- NS00064142
- SCHEMBL3834133
- 94135-13-4
- tris(m-hydroxyl phenyl)phosphate
- DTXSID80240745
- WP9AVJ5G69
- EINECS 302-882-5
- 1,3-BENZENEDIOL, 1,1',1''-PHOSPHATE
-
- Inchi： 1S/C18H15O7P/c19-13-4-1-7-16(10-13)23-26(22,24-17-8-2-5-14(20)11-17)25-18-9-3-6-15(21)12-18/h1-12,19-21H
- InChI Key： GGYSSENSJNGXLU-UHFFFAOYSA-N
- SMILES： P(=O)(OC1C=CC=C(C=1)O)(OC1C=CC=C(C=1)O)OC1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 374.055539
- Monoisotopic Mass: 374.055539
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 422
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 105
Experimental Properties
- Density: 1.478
- Boiling Point: 541.9°Cat760mmHg
- Flash Point: 281.5°C
- Refractive Index: 1.658
- PSA: 115.26000
- LogP: 4.44830
1,3-Benzenediol,1,1',1''-phosphate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
94135-13-4 (1,3-Benzenediol,1,1',1''-phosphate) Related Products
- 701-64-4(phenoxyphosphonic acid)
- 115-89-9(Diphenyl methyl phosphate)
- 115-86-6(Triphenyl phosphate)
- 838-85-7(Diphenyl Phosphate)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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