Cas no 27720-47-4 (Isobenzofuran,5,6-dimethyl-1,3-diphenyl-)
27720-47-4 structure
Product Name:Isobenzofuran,5,6-dimethyl-1,3-diphenyl-
CAS No:27720-47-4
MF:C22H18O
MW:298.377726078033
CID:288797
PubChem ID:293205
Update Time:2025-04-19
Isobenzofuran,5,6-dimethyl-1,3-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran,5,6-dimethyl-1,3-diphenyl-
- 1,3-Diphenyl-5,6-dimethylisobenzofuran
- 1,3-Diphenyl-5,6-dimethyl-isobenzofuran
- 5,6-dimethyl-1,3-diphenyl-isobenzofuran
- AC1L6JOC
- AC1Q70ID
- AG-K-23768
- AR-1G6217
- CTK4G0172
- NSC159542
- 27720-47-4
- Isobenzofuran, 5,6-dimethyl-1,3-diphenyl-
- LBASRTOKVSTSJC-UHFFFAOYSA-N
- NSC-159542
- SCHEMBL11311750
- DTXSID20303646
- 5,6-dimethyl-1,3-diphenyl-2-benzofuran
- 5,6-Dimethyl-1,3-diphenylisobenzofuran
-
- Inchi： 1S/C22H18O/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-14H,1-2H3
- InChI Key： LBASRTOKVSTSJC-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C2C=C(C)C(C)=CC2=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 298.13584
- Monoisotopic Mass: 298.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 343
- 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: 6.3
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- Density: 1.107
- Boiling Point: 469.5°Cat760mmHg
- Flash Point: 246.1°C
- Refractive Index: 1.624
- PSA: 13.14
Isobenzofuran,5,6-dimethyl-1,3-diphenyl- Related Literature
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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