Cas no 5461-68-7 ((2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate)
5461-68-7 structure
Product Name:(2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate
CAS No:5461-68-7
MF:C14H7Cl5O3
MW:400.468579530716
CID:1590302
PubChem ID:221839
Update Time:2025-04-21
(2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- (2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate
- pentachlorophenyl 4-methoxybenzoate
- NSC6915
- AC1L5AWQ
- AC1Q3Q8F
- CTK5A1930
- NSC-6915
- AR-1K9840
- AG-J-57828
- pentachlorophenyl 4-methoxybenzoate; NSC6915; AC1L5AWQ; AC1Q3Q8F; CTK5A1930; NSC-6915; AR-1K9840; AG-J-57828;
- TXONTFRBXOCPBF-UHFFFAOYSA-N
- p-methoxybenzoic acid pentachlorophenyl ester
- 5461-68-7
- SCHEMBL11172908
- DTXSID80278285
-
- Inchi： 1S/C14H7Cl5O3/c1-21-7-4-2-6(3-5-7)14(20)22-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3
- InChI Key： TXONTFRBXOCPBF-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=C(C=1OC(C1C=CC(=CC=1)OC)=O)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 397.88401
- Monoisotopic Mass: 397.883783
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 373
- 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: 35.5
- XLogP3: 6.4
Experimental Properties
- Density: 1.56
- Boiling Point: 534.8°C at 760 mmHg
- Flash Point: 212.9°C
- Refractive Index: 1.61
- PSA: 35.53
(2,3,4,5,6-pentachlorophenyl) 4-methoxybenzoate Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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