Cas no 815-02-1 (3,3,3-trichloropropane-1,2-diol)
815-02-1 structure
Product Name:3,3,3-trichloropropane-1,2-diol
CAS No:815-02-1
MF:C3H5Cl3O2
MW:179.42959856987
CID:1805412
PubChem ID:160546
Update Time:2025-04-21
3,3,3-trichloropropane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 3,3,3-trichloropropane-1,2-diol
- 1,2-Propanediol, 3,3,3-trichloro-
- 3,3,3-Trichloro-1,2-propanediol
- DTXSID701002016
- 815-02-1
- SCHEMBL4941783
-
- Inchi： 1S/C3H5Cl3O2/c4-3(5,6)2(8)1-7/h2,7-8H,1H2
- InChI Key： WUBHHCRECMGUJD-UHFFFAOYSA-N
- SMILES： ClC(C(CO)O)(Cl)Cl
Computed Properties
- Exact Mass: 177.936
- Monoisotopic Mass: 177.936
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 69.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.666
- Boiling Point: 338.5°C at 760 mmHg
- Flash Point: 158.5°C
- Refractive Index: 1.534
3,3,3-trichloropropane-1,2-diol Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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