Cas no 74283-48-0 (1-Chloro-2-methyl-butan-2-ol)
1-Chloro-2-methyl-butan-2-ol structure
Product Name:1-Chloro-2-methyl-butan-2-ol
CAS No:74283-48-0
MF:C5H11ClO
MW:122.593240976334
CID:2673411
PubChem ID:12794301
Update Time:2025-04-21
1-Chloro-2-methyl-butan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-CHLORO-2-METHYL-2-BUTANOL
- AKOS006310217
- 1-chloro-2-methyl-butan-2-ol
- 74283-48-0
- 1-chloro-2-methylbutan-2-ol
- 3-Methyl-4-chlorbutanol-3
- DTXSID50871464
- SCHEMBL2678568
- 1-Chloro-2-methyl-butan-2-ol
-
- Inchi： 1S/C5H11ClO/c1-3-5(2,7)4-6/h7H,3-4H2,1-2H3
- InChI Key： ZQZXWCZCICKWEQ-UHFFFAOYSA-N
- SMILES： ClCC(C)(CC)O
Computed Properties
- Exact Mass: 122.0498427Da
- Monoisotopic Mass: 122.0498427Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 56
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.0161
- Boiling Point: 153.24°C (rough estimate)
- Refractive Index: 1.4469
1-Chloro-2-methyl-butan-2-ol Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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