Cas no 57253-30-2 ((2e)-1-bromo-2-methyl-2-butene)
57253-30-2 structure
Product Name:(2e)-1-bromo-2-methyl-2-butene
CAS No:57253-30-2
MF:C5H9Br
MW:149.028960943222
CID:1602611
PubChem ID:521026
Update Time:2025-04-21
(2e)-1-bromo-2-methyl-2-butene Chemical and Physical Properties
Names and Identifiers
-
- (2E)-1-Bromo-2-methyl-2-butene
- 2,3-dimethyladipic acid
- 2,3-dimethyl-adipic acid
- (E)-1-bromo-2-methyl-but-2-ene
- Hexanedioic acid, 2,3-dimethyl-
- trans-1-bromo-2-methyl-2-butene
- AGN-PC-00K2EY
- 2,3-Dimethyl-adipinsaeure
- (E)-2-methyl-2-buten-1-yl bromide
- 2,3-dimethylallyl bromide
- CTK1E5432
- (E)-2-methyl-2-butenyl bromide
- tiglyl bromide
- 1-BROMO-2-METHYL-BUT-2-ENE
- 1-bromo-2-methyl-2-butene
- 57253-30-2
- 2-methylbut-2-enyl bromide
- DB-311921
- (2e)-1-bromo-2-methyl-2-butene
-
- Inchi： 1S/C5H9Br/c1-3-5(2)4-6/h3H,4H2,1-2H3
- InChI Key： WZEXBDRUCFODAA-UHFFFAOYSA-N
- SMILES： BrCC(C)=CC
Computed Properties
- Exact Mass: 147.98877
- Monoisotopic Mass: 147.98876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 55
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.2500
- Melting Point: -106.7°C (estimate)
- Boiling Point: 114.3°C (estimate)
- Refractive Index: 1.4785
- PSA: 0
(2e)-1-bromo-2-methyl-2-butene Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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