Cas no 5395-07-3 (1,3-dichloro-2-(chloromethyl)propan-2-ol)
5395-07-3 structure
Product Name:1,3-dichloro-2-(chloromethyl)propan-2-ol
CAS No:5395-07-3
MF:C4H7Cl3O
MW:177.456778764725
CID:1586192
PubChem ID:220006
Update Time:2025-04-21
1,3-dichloro-2-(chloromethyl)propan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dichloro-2-(chloromethyl)propan-2-ol
- AR-1B6843
- 1,3-dichloro-2-chloromethyl-propan-2-ol
- NSC2118
- 1,3-dichloro-2-chloromethyl-2-propanol
- AC1Q3TUZ
- AC1L57Z0
- 1,3-Dichlor-2-chlormethyl-propan-2-ol
- Tris-chlormethyl-carbinol
- Ethanol,1-bis(chloromethyl)-
- CTK4J9069
- KST-1A9529
- AR-1B6843; 1,3-dichloro-2-chloromethyl-propan-2-ol; NSC2118; 1,3-dichloro-2-chloromethyl-2-propanol; AC1Q3TUZ; AC1L57Z0; 1,3-Dichlor-2-chlormethyl-propan-2-ol; Tris-chlormethyl-carbinol; Ethanol,1-bis(chloromethyl)-; CTK4J9069; KST-1A9529;
- SCHEMBL4187894
- 1,3-dichloro-2-(chloromethyl)-2-propanol
- 1,3-bis(chloranyl)-2-(chloromethyl)propan-2-ol
- DTXSID10277382
- A800256
- NSC-2118
- 5395-07-3
-
- Inchi: 1S/C4H7Cl3O/c5-1-4(8,2-6)3-7/h8H,1-3H2
- InChI Key: DGXYLTBOUTWFAZ-UHFFFAOYSA-N
- SMILES: ClCC(CCl)(CCl)O
Computed Properties
- Exact Mass: 175.95641
- Monoisotopic Mass: 175.956
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 54
- 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: 20.2?2
Experimental Properties
- Density: 1.405
- Boiling Point: 248°C at 760 mmHg
- Flash Point: 103.8°C
- Refractive Index: 1.491
- PSA: 20.23
- LogP: 1.43390
1,3-dichloro-2-(chloromethyl)propan-2-ol Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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