Cas no 91137-27-8 (1-Methyl-5-nitro-naphthalene)
1-Methyl-5-nitro-naphthalene structure
Product Name:1-Methyl-5-nitro-naphthalene
CAS No:91137-27-8
MF:C11H9NO2
MW:187.194662809372
CID:815866
PubChem ID:93496
Update Time:2025-04-19
1-Methyl-5-nitro-naphthalene Chemical and Physical Properties
Names and Identifiers
-
- 1-Methyl-5-nitro-naphthalene
- 1-Methyl-5-nitronaphthalene
- 1-Methyl-5-nitronaphthalene100μg
- 1-Methyl-5-nitro-naphthalin
- 1-Nitro-5-methyl-naphthalin
- 5-nitro-1-methylnaphthalene
- 5-Methyl-1-nitronaphthalene
- 91137-27-8
- SCHEMBL5728848
- UNII-1EQU0EI050
- DTXSID80238420
- 1EQU0EI050
- AKOS005387091
- Naphthalene, 1-methyl-5-nitro-
- CCRIS 7757
-
- Inchi: 1S/C11H9NO2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3
- InChI Key: AOSRALZFDNFXFZ-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC=CC2=C(C)C=CC=C21)=O
Computed Properties
- Exact Mass: 187.06300
- Monoisotopic Mass: 187.063329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 224
- 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: 3.6
- Topological Polar Surface Area: 45.8
Experimental Properties
- Density: 1.234
- Boiling Point: 324.6°Cat760mmHg
- Flash Point: 155.5°C
- Refractive Index: 1.652
- PSA: 45.82000
- LogP: 3.57960
1-Methyl-5-nitro-naphthalene Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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