Cas no 2211-31-6 (1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate)
2211-31-6 structure
Product Name:1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate
1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate
- 2-Methylnaphthalene-1,4-diyl dibenzoate
- (4-benzoyloxy-3-methylnaphthalen-1-yl) benzoate
- 2211-31-6
- NS00027059
- 4-(BENZOYLOXY)-3-METHYL-1-NAPHTHYL BENZOATE
- DTXSID10176624
- 1,4-NAPHTHALENEDIOL, 2-METHYL-, 1,4-DIBENZOATE
- AKOS024420798
- EINECS 218-649-5
- Q6ND4F7E44
- 1,4-dibenzoyloxy-2-methyl naphthalene
- UNII-Q6ND4F7E44
- 1,4-DIBENZOYLOXY-2-METHYLNAPHTHALENE
-
- Inchi： 1S/C25H18O4/c1-17-16-22(28-24(26)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)29-25(27)19-12-6-3-7-13-19/h2-16H,1H3
- InChI Key： BVVDINJVWBJRHY-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C1=C(C)C=C(C2C=CC=CC=21)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 382.12054
- Monoisotopic Mass: 382.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 561
- 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: 52.6A^2
- XLogP3: 6.4
Experimental Properties
- Density: 1.247
- Boiling Point: 578.8°C at 760 mmHg
- Flash Point: 298.4°C
- Refractive Index: 1.652
- PSA: 52.6
1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
2211-31-6 (1,4-Naphthalenediol,2-methyl-, 1,4-dibenzoate) Related Products
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