Cas no 27254-36-0 (Naphthalene, nitro-)

Naphthalene, nitro- structure
Naphthalene, nitro- structure
Product Name:Naphthalene, nitro-
CAS No:27254-36-0
MF:C10H7NO2
MW:173.168082475662
CID:271905
PubChem ID:6849
Update Time:2025-04-19

Naphthalene, nitro- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene, nitro-
    • A24106
    • UNII-A51NP1DL2T
    • SCHEMBL57184
    • A-Nitronaphthalene
    • STR03423
    • 1-Nitro-Naphthalene
    • NS00039134
    • 1-Nitronaphthalene, purum, >=98.0% (GC)
    • CAS-86-57-7
    • AC-29181
    • 1-NITRONAPHTHALENE [HSDB]
    • 1-nitronapthalene
    • Q14848739
    • 86-57-7
    • 1-Nitronaphthalene 10 microg/mL in Cyclohexane
    • Nitronaphthalene [UN2538] [Flammable solid]
    • Tox21_201407
    • 27254-36-0
    • 1-NITRONAPHTHALENE [IARC]
    • Nitronaphthalin
    • nitro-naphthalene
    • CCRIS 450
    • MFCD00003913
    • DTXCID70978
    • WLN: L66J BNW
    • D97666
    • HSDB 2887
    • BDBM50282618
    • InChI=1/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7
    • 1-Nitronaphthalene, 99%
    • NCGC00091715-02
    • NSC9584
    • NCGC00091715-01
    • CHEMBL165373
    • UN2538
    • EN300-19781
    • NSC-9584
    • Naphthalene, 1-nitro-
    • CHEBI:34104
    • NITRONAPHTHALENE, 1-
    • 1-NITRONAPHTHALENE
    • Tox21_302759
    • alpha-Nitronaphthalene
    • A51NP1DL2T
    • .alpha.-Nitronaphthalene
    • NCGC00091715-03
    • NITRONAPHTHALENE
    • NCI-C01956
    • Nitrol
    • Mononitronaphthalene
    • DTXSID7020978
    • AKOS000120000
    • NCGC00258958-01
    • AE-562/40180003
    • 1-Nitronaftalen [Czech]
    • EINECS 201-684-5
    • Nitrol (pesticide)
    • BRN 1867714
    • 1-Nitronaftalen
    • Naphthalene, alpha-nitro-
    • alpha-nitro-naphthalene
    • Naphthalene, mononitro-
    • AI3-00477
    • 1-NITRONAPHTHALENE [MI]
    • 1-Nitronaphthalene, BCR(R) certified Reference Material
    • NCGC00256373-01
    • FT-0641778
    • FT-0608156
    • Nitrol (VAN)
    • NSC 9584
    • 1-Nitronaphthaline
    • 1-Nitro-4-phenylbenzene;4-nitro-1-biphenyl;4-nitro-bipheny
    • N0212
    • Inchi： 1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
    • InChI Key： RJKGJBPXVHTNJL-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC=C2C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 173.04771
  • Monoisotopic Mass: 173.047678
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 200
  • 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: 3.2
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Density: 1.3320
  • Melting Point: 61.5°C
  • Boiling Point: 303.81°C (rough estimate)
  • Flash Point: 150.3°C
  • Refractive Index: 1.5200 (estimate)
  • PSA: 43.14
  • LogP: log Kow= 3.19

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