Cas no 30606-84-9 (1,3-Isobenzofurandione, bromo-)
30606-84-9 structure
Product Name:1,3-Isobenzofurandione, bromo-
CAS No:30606-84-9
MF:C8H3BrO3
MW:227.011621713638
CID:1446657
Update Time:2024-08-24
1,3-Isobenzofurandione, bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione, bromo-
- 1,3-Isobenzofurandione, bromo- (9CI)
-
- Inchi： 1S/C8H3BrO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
- InChI Key： AQBFKBMMIDHCFS-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C(Br)=CC=C2)C(=O)O1
Computed Properties
- Exact Mass: 225.92649
- Monoisotopic Mass: 225.927
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 239
- 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
- Topological Polar Surface Area: 43.4A^2
Experimental Properties
- Color/Form: Off white to yellowish powder
- Density: 1.911
- Boiling Point: 363.2 °C at 760 mmHg
- Flash Point: 173.5 °C
- Refractive Index: 1.651
- PSA: 43.37
1,3-Isobenzofurandione, bromo- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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