Cas no 53883-86-6 (Propane,1,3-dichloro-2-(chloromethoxy)-)
53883-86-6 structure
Product Name:Propane,1,3-dichloro-2-(chloromethoxy)-
CAS No:53883-86-6
MF:C4H7Cl3O
MW:177.456778764725
CID:366780
PubChem ID:5323877
Update Time:2025-04-19
Propane,1,3-dichloro-2-(chloromethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propane,1,3-dichloro-2-(chloromethoxy)-
- 1,3-Dichlor-2-chlormethoxy-propan
- 1,3-dichloro-2-(chloromethoxy)propane
- 1,3-dichloro-2-chloromethoxypropane
- 1,3-dichloro-2-chloromethoxy-propane
- Chlormethyl-(β.β'-dichlor-isopropyl)-aether
- InChI=1/C4H7Cl3O/c5-1-4(2-6)8-3-7/h4H,1-3H
- 53883-86-6
- SCHEMBL7781320
- DTXSID90415841
- 1,4-dichloro-3-chloromethyl-2-oxabutane
-
- Inchi： 1S/C4H7Cl3O/c5-1-4(2-6)8-3-7/h4H,1-3H2
- InChI Key： PGDSPXTUIGPRJZ-UHFFFAOYSA-N
- SMILES： ClCC(CCl)OCCl
Computed Properties
- Exact Mass: 175.95600
- Monoisotopic Mass: 175.956248g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 46.5
- 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: 2
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.386 g/cm3 (20 oC)
- Boiling Point: 95-96 oC (17 Torr)
- Flash Point: 89.8±23.3 oC,
- Refractive Index: 1.481 (589.3 nm 20 oC)
- Solubility: Slightly soluble (11 g/l) (25 o C),
- PSA: 9.23000
- LogP: 2.04550
Propane,1,3-dichloro-2-(chloromethoxy)- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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