Cas no 33440-68-5 (1,4-Naphthalenedione,2-(phenylmethyl)-)
33440-68-5 structure
Product Name:1,4-Naphthalenedione,2-(phenylmethyl)-
CAS No:33440-68-5
MF:C17H12O2
MW:248.275984764099
CID:320998
PubChem ID:3015658
Update Time:2025-04-19
1,4-Naphthalenedione,2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-(phenylmethyl)-
- 2-benzylnaphthalene-1,4-dione
- 2-(Phenylmethyl)-1,4-naphthalenedione
- SCHEMBL9588537
- 2-Benzyl-[1,4]naphthoquinone
- 2-benzyl-1,4-naphthoquinone
- CHEMBL122058
- 33440-68-5
- NRKPHAPQMRHQNY-UHFFFAOYSA-N
- FT-0707626
- 1,4-Naphthalenedione, 2-(phenylmethyl)-
- DTXSID80187085
- BDBM50012696
-
- Inchi： 1S/C17H12O2/c18-16-11-13(10-12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h1-9,11H,10H2
- InChI Key： NRKPHAPQMRHQNY-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C=C1CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 248.08376
- Monoisotopic Mass: 248.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 402
- 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: 3.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.248
- Boiling Point: 422.2°Cat760mmHg
- Flash Point: 157.8°C
- Refractive Index: 1.644
- PSA: 34.14
1,4-Naphthalenedione,2-(phenylmethyl)- Related Literature
-
1. Reactions of 2-ethyl- and 2-benzyl-1,4-naphthoquinone with N-methylcyclohexylamineI. Baxter,D. W. Cameron,J. K. M. Sanders,R. B. Titman J. Chem. Soc. Perkin Trans. 1 1972 2046
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Yu Dong,Jian Yang,Shuai He,Zhi-Chuan Shi,Yu Wang,Xiao-Mei Zhang,Ji-Yu Wang RSC Adv. 2019 9 27588
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3. Index of subjects, 1972
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