Cas no 30443-47-1 (Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1))
30443-47-1 structure
Product Name:Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1)
CAS No:30443-47-1
MF:C22H26O4Zn
MW:419.848443508148
CID:320907
PubChem ID:20225553
Update Time:2025-04-19
Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1)
- benzoate, 2-(1,1-dimethylethyl)-, zinc salt (1:1)
- Zinc tert-butylbenzoate
- EINECS 250-203-5
- SCHEMBL4737091
- 30443-47-1
- NS00084132
-
- Inchi： 1S/2C11H14O2.Zn/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
- InChI Key： JDWKHPKWCUBDHC-UHFFFAOYSA-L
- SMILES： [Zn+2].[O-]C(C1C=CC=CC=1C(C)(C)C)=O.[O-]C(C1C=CC=CC=1C(C)(C)C)=O
Computed Properties
- Exact Mass: 242.02852
- Monoisotopic Mass: 241.020701
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 185
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1
Experimental Properties
- Boiling Point: 283.8°Cat760mmHg
- Flash Point: 135.1°C
- PSA: 26.3
Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1) Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
30443-47-1 (Benzoic acid,(1,1-dimethylethyl)-, zinc salt (2:1)) Related Products
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- 33813-32-0(Ditert-butyl benzene-1,3-dicarboxylate)
- 143726-85-6(Tert-Butyl 4-(hydroxymethyl)benzoate)
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- 6422-84-0(Diisopropyl terephthalate)
- 65874-27-3(Tert-butyl 4-formylbenzoate)
- 939-48-0(Isopropyl Benzoate)
- 30448-43-2(1,2-Benzenedicarboxylicacid, 1,2-bis(1,1-dimethylethyl) ester)
- 20576-82-3(Mono-tert-Butyl Terephthalate)
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