Cas no 7475-94-7 (naphthalene, 2,3-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1))
7475-94-7 structure
Product Name:naphthalene, 2,3-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No:7475-94-7
MF:C18H15N3O7
MW:385.327604532242
CID:862312
PubChem ID:343913
Update Time:2025-04-19
naphthalene, 2,3-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1) Chemical and Physical Properties
Names and Identifiers
-
- naphthalene, 2,3-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
- 2,3-dimethylnaphthalene,2,4,6-trinitrophenol
- NSC400527
- DTXSID70322125
- NSC-400527
- 7475-94-7
-
- Inchi： 1S/C12H12.C6H3N3O7/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-8H,1-2H3;1-2,10H
- InChI Key： GZNKYFHCCBEVCF-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C12C=CC=CC1=CC(C)=C(C)C=2
Computed Properties
- Exact Mass: 385.09105
- Monoisotopic Mass: 385.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 424
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 158?2
Experimental Properties
- Boiling Point: 303.6°C at 760 mmHg
- Flash Point: 133.9°C
- PSA: 149.65
naphthalene, 2,3-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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