Cas no 53104-47-5 ( )
structure
Product Name:
CAS No:53104-47-5
MF:C8H11O3P
MW:186.144903421402
CID:937950
PubChem ID:291825
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,4-DIMETHYLPHENYLPHOSPHONIC ACID
- (3,4-dimethyl-phenyl)-phosphonic acid
- (3,4-Dimethyl-phenyl)-phosphonsaeure
- 3,4-dimethylphosphonic acid
- 3.4-Dimethylphenylphosphonsaeure
- AC1L6GOY
- AC1Q6RO0
- AR-1A3850
- CTK1H3573
- KST-1A5432
- NSC157372
- SureCN3347914
- MFCD00087296
- 53104-47-5
- 3,4-di-methylphenylphosphonic acid
- NSC-157372
- (3,4-dimethylphenyl)phosphonic acid
- 3,4-dimethylphenylphosphonic acid, 98 %
- AKOS017343843
- DTXSID70303212
- SCHEMBL3347914
-
-
- Inchi： 1S/C8H11O3P/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
- InChI Key： URNJCFQYNKGNLX-UHFFFAOYSA-N
- SMILES： P(C1C=CC(C)=C(C)C=1)(=O)(O)O
Computed Properties
- Exact Mass: 186.04463
- 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: 1
- Complexity: 199
- 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: 1.2
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.29
- Boiling Point: 380.6°C at 760 mmHg
- Flash Point: 184°C
- Refractive Index: 1.552
- PSA: 57.53
- LogP: 1.10640
Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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