Cas no 13115-28-1 (2-Naphthalenamine,3-nitro-)
2-Naphthalenamine,3-nitro- structure
Product Name:2-Naphthalenamine,3-nitro-
CAS No:13115-28-1
MF:C10H8N2O2
MW:188.182722091675
CID:141553
PubChem ID:25714
Update Time:2025-04-19
2-Naphthalenamine,3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenamine,3-nitro-
- 3-NITRO-2-NAPHTHYLAMINE
- 3-nitronaphthalen-2-amine
- 2-Naphthylamine, 3-nitro-
- BRN 2103185
- SCHEMBL8686891
- 13115-28-1
- AKOS006272349
- DTXSID60156916
- 2-Amino-3-nitronaphthalene
- 4-12-00-03185 (Beilstein Handbook Reference)
- CHEMBL84041
-
- Inchi： 1S/C10H8N2O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12(13)14/h1-6H,11H2
- InChI Key： ZAXOISFBCDOZER-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=C2C=CC=CC2=C1)N)=O
Computed Properties
- Exact Mass: 188.05864
- Monoisotopic Mass: 188.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 227
- 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: 71.8A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.2577 (rough estimate)
- Melting Point: 115.5°C
- Boiling Point: 323.18°C (rough estimate)
- Flash Point: 194.3°C
- Refractive Index: 1.5910 (estimate)
- PSA: 69.16
2-Naphthalenamine,3-nitro- Related Literature
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1. 971. 2 : 3-Derivatives of naphthalene. Part III. The electrophilic substitution reactions of 3-nitro-2-naphthylamine and N-acylated derivativesE. R. Ward,T. M. Coulson,P. R. Wells J. Chem. Soc. 1957 4816
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2. 2 : 3-Derivatives of naphthalene. Part I. The nitration of N-acetyl-3-nitro-1-naphthylamineE. R. Ward,T. M. Coulson,J. G. Hawkins J. Chem. Soc. 1954 4541
-
Alexander Bryson Trans. Faraday Soc. 1949 45 257
-
4. Hydrogen bonding in certain mono-nitronaphthylaminesD. E. Hathway,M. St. C. Flett Trans. Faraday Soc. 1949 45 818
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J. H. Richards,S. Walker Trans. Faraday Soc. 1961 57 418
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