Cas no 72182-70-8 (Propane-1,1,1-d3,3-bromo-2-(methyl-d3)- (9CI))
72182-70-8 structure
Product Name:Propane-1,1,1-d3,3-bromo-2-(methyl-d3)- (9CI)
CAS No:72182-70-8
MF:C4H9Br
MW:143.055230855942
CID:549220
PubChem ID:90475564
Update Time:2025-04-19
Propane-1,1,1-d3,3-bromo-2-(methyl-d3)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Propane-1,1,1-d3,3-bromo-2-(methyl-d3)- (9CI)
- 1-BROMO-2-METHYL-D3-PROPANE-3,3,3-D3
- 1,1'-SpiroBis(3,3-dimethyl-5,6-dihydroxy)indane
- 2-bromomethyl-1,1,1,3,3,3-hexadeuterio-propane
- 3 3 3' 3'-TETRAME.-1 1'-SPIROBIINDANE-
- 3 3 3' 3'-TETRAMETHYL-1 1'-SPIROBISINDA&
- 3,3,3,3-tetrame.-1,1-spirobiindane-5,5,6,6-tetraol
- 3,3,3',3'-tetramethyl-1,10-spirobisinda
- 3,3,3,3-Tetramethyl-1,1-spirobiindane-5,5,6,6-tetraol
- 5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindane
- TIMTEC-BB SBB008949
- 72182-70-8
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- Inchi： 1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3/i1D3,2D3
- InChI Key： HLVFKOKELQSXIQ-WFGJKAKNSA-N
- SMILES： BrCC(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 142.026
- Monoisotopic Mass: 142.026
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 17.6
- 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: 0A^2
- XLogP3: 2.3
Propane-1,1,1-d3,3-bromo-2-(methyl-d3)- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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
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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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