Cas no 7472-00-6 (1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)-)
7472-00-6 structure
Product Name:1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)-
CAS No:7472-00-6
MF:C12H21Br3O3
MW:453.005342245102
CID:578737
PubChem ID:345039
Update Time:2025-04-19
1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)-
- 1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)
- 2,4,6-tris(2-bromopropan-2-yl)-1,3,5-trioxane
- 1L-018
- 2,4,6-tris(1-bromo-1-methylethyl)-1,3,5-trioxane
- AC1L81X7
- NSC402253
- (2R)-2,4,6-TRIS(1-BROMO-1-METHYLETHYL)-1,3,5-TRIOXANE
- AKOS005082677
- NSC-402253
- AKOS037632694
- 7472-00-6
- DTXSID20322897
-
- Inchi： 1S/C12H21Br3O3/c1-10(2,13)7-16-8(11(3,4)14)18-9(17-7)12(5,6)15/h7-9H,1-6H3
- InChI Key： KTNYNRJPTHZVNU-UHFFFAOYSA-N
- SMILES： BrC(C)(C)C1OC(C(C)(C)Br)OC(C(C)(C)Br)O1
Computed Properties
- Exact Mass: 449.90403
- Monoisotopic Mass: 449.90408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 4.2
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1,3,5-Trioxane,2,4,6-tris(1-bromo-1-methylethyl)- Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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