Cas no 62290-31-7 (Phosphonic dichloride, (2-chloro-1,3-butadienyl)-)
62290-31-7 structure
Product Name:Phosphonic dichloride, (2-chloro-1,3-butadienyl)-
CAS No:62290-31-7
MF:C4H4Cl3OP
MW:205.406719207764
CID:450649
PubChem ID:2784254
Update Time:2025-04-19
Phosphonic dichloride, (2-chloro-1,3-butadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic dichloride, (2-chloro-1,3-butadienyl)-
- 2-chloro-1-dichlorophosphorylbuta-1,3-diene
- DTXSID50382742
- 62290-31-7
-
- Inchi： 1S/C4H4Cl3OP/c1-2-4(5)3-9(6,7)8/h2-3H,1H2
- InChI Key： VQKLNMVCBTXIKA-UHFFFAOYSA-N
- SMILES： ClP(C=C(C=C)Cl)(=O)Cl
Computed Properties
- Exact Mass: 203.90672
- Monoisotopic Mass: 203.906535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Phosphonic dichloride, (2-chloro-1,3-butadienyl)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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