Cas no 36677-73-3 (but-2-yne-1,4-diyl diformate)
but-2-yne-1,4-diyl diformate structure
Product Name:but-2-yne-1,4-diyl diformate
CAS No:36677-73-3
MF:C6H6O4
MW:142.109442234039
CID:1478554
Update Time:2024-08-23
but-2-yne-1,4-diyl diformate Chemical and Physical Properties
Names and Identifiers
-
- but-2-yne-1,4-diyl diformate
- 2-butyne-1,4-diol, diformate
- 2-Butyne-1,4-diol diformate
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- Inchi： 1S/C6H6O4/c7-5-9-3-1-2-4-10-6-8/h5-6H,3-4H2
- InChI Key： HXMJIIPXEYHZSK-UHFFFAOYSA-N
- SMILES： C(OC=O)C#CCOC=O
Computed Properties
- Exact Mass: 142.02658
- Monoisotopic Mass: 142.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 145
- 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
Experimental Properties
- Density: 1.201
- Boiling Point: 215.5°C at 760 mmHg
- Flash Point: 106.3°C
- Refractive Index: 1.449
- PSA: 52.6
but-2-yne-1,4-diyl diformate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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