Cas no 52912-51-3 (Butanoyl chloride, 2,2,3-trimethyl-)
52912-51-3 structure
Product Name:Butanoyl chloride, 2,2,3-trimethyl-
CAS No:52912-51-3
MF:C7H13ClO
MW:148.630521535873
CID:358490
PubChem ID:12387521
Update Time:2025-04-19
Butanoyl chloride, 2,2,3-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride, 2,2,3-trimethyl-
- 2,2,3-trimethylbutanoyl chloride
- DTXSID30495824
- SCHEMBL7962611
- AKOS006325648
- 52912-51-3
-
- Inchi： 1S/C7H13ClO/c1-5(2)7(3,4)6(8)9/h5H,1-4H3
- InChI Key： DMBLTSODFHHZMS-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C)C(C)C)=O
Computed Properties
- Exact Mass: 148.06559
- Monoisotopic Mass: 148.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 116
- 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
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Butanoyl chloride, 2,2,3-trimethyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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