Cas no 7789-90-4 (2,2,3-Trichloropropanal)
2,2,3-Trichloropropanal structure
Product Name:2,2,3-Trichloropropanal
2,2,3-Trichloropropanal Chemical and Physical Properties
Names and Identifiers
-
- 2,2,3-Trichloropropanal
- propanal, 2,2,3-trichloro-
- SCHEMBL6840690
- DTXSID80228508
- 3-01-00-02693 (Beilstein Handbook Reference)
- AKOS006385278
- UNII-KFQ961MF6C
- 2,2,3-TRICHLOROPROPIONALDEHYDE
- Propionaldehyde, 2,2,3-trichloro-
- BRN 1748695
- VMVQOWJGWBIGEU-UHFFFAOYSA-N
- Q27282234
- 7789-90-4
- AI3-25036
- KFQ961MF6C
- 2,2,3-trichloro-propionaldehyde
- .ALPHA.,.ALPHA.,.BETA.-TRICHLOROPROPIONALDEHYDE
- .ALPHA.,.ALPHA.,.BETA.-TRICHLOROPROPIONIC ALDEHYDE
-
- Inchi： 1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
- InChI Key： VMVQOWJGWBIGEU-UHFFFAOYSA-N
- SMILES： ClC(C=O)(CCl)Cl
Computed Properties
- Exact Mass: 159.92509
- Monoisotopic Mass: 159.924948
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 70.6
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 1.5
Experimental Properties
- Density: 1.4700
- Boiling Point: 226.05°C (rough estimate)
- Flash Point: 57.5°C
- Refractive Index: 1.4730 (estimate)
- PSA: 17.07
2,2,3-Trichloropropanal Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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