Cas no 61535-21-5 (1-Benzyloxy-3-methyl-2-nitrobenzene)

1-Benzyloxy-3-methyl-2-nitrobenzene structure
61535-21-5 structure
Product Name:1-Benzyloxy-3-methyl-2-nitrobenzene
CAS No:61535-21-5
MF:C14H13NO3
MW:243.257923841476
MDL:MFCD00272556
CID:502065
PubChem ID:24873508
Update Time:2024-12-09

1-Benzyloxy-3-methyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyloxy-3-methyl-2-nitrobenzene
    • Benzene,1-methyl-2-nitro-3-(phenylmethoxy)-
    • 1-(benzyloxy)-3-methyl-2-nitrophenol
    • 2-Nitro-3-benzyloxy-toluol
    • 3-benzyloxy-2-nitrotoluene
    • 510521_ALDRICH
    • AC1MOIKF
    • ACMC-209xwc
    • ACT04909
    • Benzyl-(3-methyl-2-nitro-phenyl)-aether
    • benzyl-(3-methyl-2-nitro-phenyl)-ether
    • CTK5B3388
    • PubChem13457
    • SureCN647866
    • FT-0630035
    • J-504322
    • A8530
    • MFCD00272556
    • 61535-21-5
    • 1-Benzyloxy-3-methyl-2-nitrobenzene, 98%
    • 1-benzyloxy-3-methyl-2-nitro-benzene
    • ZUMJNYJMXBJJIC-UHFFFAOYSA-N
    • AKOS015889072
    • DTXSID40391646
    • 1-BENZYLOXY-3-METHYL-2-NITROBENZENE 98
    • CS-0153681
    • 1-(benzyloxy)-3-methyl-2-nitrobenzene
    • AC-24623
    • AS-36347
    • AKOS015920435
    • SCHEMBL647866
    • 1-methyl-2-nitro-3-phenylmethoxybenzene
    • DB-024506
    • MDL: MFCD00272556
    • Inchi: 1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
    • InChI Key: ZUMJNYJMXBJJIC-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC=C(C)C=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 243.08959
  • Monoisotopic Mass: 243.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 271
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Color/Form: Colorless to Yellow Liquid
  • Density: 1.738?g/mL?at 25?°C(lit.)
  • Boiling Point: 150?°C/1.5?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>235.4°F
    Degrees Celsius:>113°C
  • Refractive Index: n20/D 1.5765(lit.)
  • PSA: 52.37
  • LogP: 4.00540
  • Solubility: Not available
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-Benzyloxy-3-methyl-2-nitrobenzene Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280;P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: H303+H313+H333
  • Storage Condition:Room temperature

1-Benzyloxy-3-methyl-2-nitrobenzene Pricemore >>

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