Cas no 40496-93-3 (4-tert-butylphthalic anhydride)
40496-93-3 structure
Product Name:4-tert-butylphthalic anhydride
CAS No:40496-93-3
MF:C12H12O3
MW:204.221883773804
CID:925837
PubChem ID:122930
Update Time:2025-04-19
4-tert-butylphthalic anhydride Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-butylphthalic anhydride
- 3-tert-butylphtalic anhydride
- 4-tert-Butylphthalic anhydride; >97%
- HY-W012482
- B1337
- 5-tert-butyl-1,3-dihydro-2-benzofuran-1,3-dione
- DTXSID30186381
- F10381
- 4-t-butyl phthalic anhydride
- EINECS 251-165-2
- AS-63095
- MFCD00060127
- AM20040176
- CS-W013198
- DB-048249
- 5-(tert-Butyl)isobenzofuran-1,3-dione
- AKOS015916355
- 5-tert-butylisobenzofuran-1,3-dione
- 4-tert-Butylphthalic anhydride, 95%
- 40496-93-3
- A875544
- NS00029317
- 32703-79-0
- InChI=1/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H
- 1,3-Isobenzofurandione, 5-(1,1-dimethylethyl)-
- 5-tert-butyl-2-benzofuran-1,3-dione
- 4-t-butyl-phthalic anhydride
- 4-t-butylphthalic anhydride
- SCHEMBL1545970
-
- Inchi： 1S/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3
- InChI Key： YLJYVKLZVHWUCT-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=C(C=C2C1=O)C(C)(C)C)=O
Computed Properties
- Exact Mass: 204.078644241g/mol
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 301
- 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: 43.4?2
Experimental Properties
- Melting Point: 70-75?°C(lit.)
4-tert-butylphthalic anhydride Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
40496-93-3 (4-tert-butylphthalic anhydride) Related Products
- 32703-79-0(5-(tert-Butyl)isobenzofuran-1,3-dione)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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