Cas no 6873-66-1 ((4-ethylphenyl)phosphonic acid)
6873-66-1 structure
Product Name:(4-ethylphenyl)phosphonic acid
CAS No:6873-66-1
MF:C8H11O3P
MW:186.144903421402
CID:881810
PubChem ID:279158
Update Time:2025-04-19
(4-ethylphenyl)phosphonic acid Chemical and Physical Properties
Names and Identifiers
-
- (4-ethylphenyl)phosphonic acid
- p-ethylphenylphosphonic acid
- NSC-129452
- CRPRCSYCZWFVED-UHFFFAOYSA-N
- InChI=1/C8H11O3P/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
- (p-Ethylphenyl)phosphonic acid
- CRPRCSYCZWFVED-UHFFFAOYSA-
- 4-Ethylphenylphosphonic acid #
- 6873-66-1
- NSC129452
- DTXSID30299329
- AKOS024340566
- SCHEMBL344618
-
- Inchi： 1S/C8H11O3P/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
- InChI Key： CRPRCSYCZWFVED-UHFFFAOYSA-N
- SMILES： P(C1C=CC(=CC=1)CC)(=O)(O)O
Computed Properties
- Exact Mass: 186.045
- Monoisotopic Mass: 186.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 0.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.29
- Boiling Point: 359.9°C at 760 mmHg
- Flash Point: 171.4°C
- Refractive Index: 1.55
- PSA: 67.34000
- LogP: 1.05200
(4-ethylphenyl)phosphonic acid Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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