Cas no 34302-69-7 (Neocuproine)

Neocuproine structure
Neocuproine structure
Product Name:Neocuproine
CAS No:34302-69-7
MF:C14H16N2O2
MW:244.2890
MDL:MFCD23140843
CID:89070
PubChem ID:24897492
Update Time:2023-11-22

Neocuproine Chemical and Physical Properties

Names and Identifiers

    • Neocuproine
    • 2,9-Dimethyl-1,10-phenanthroline hemihydrate
    • Neocuproine Hemihydrate
    • 2,9-DIMETHYL-1,10-PHENANTHROLINE 0.5-WATER
    • 2,9-DIMETHYL-1,10-PHENANTHROLINE HYDRATE
    • 2,9-DIMETHYL-O-PHENANTHROLINE,HEMIHYDRATE
    • NEOCUPROINE 0.5-WATER
    • NEOCUPROINE HEMIHYDRATE,FOR THE DETER-M INATION OF CU
    • 2,9-Dimethyl-1,10-phenanthroline hemihydrate,98+%
    • Neocuproine dihydrate
    • 3JNL0H040F
    • 1,10-Phenanthroline, 2,9-dimethyl-, dihydrate
    • Neocuproine dihydrate [MI]
    • 1,10-Phenanthroline, 2,9-dimethyl-, hydrate (1:2)
    • C14H12N2.2H2O
    • 6177AF
    • ST51016117
    • Q27257329
    • 2,9-dimethylpyridino[3,2-h]quinoline, oxamethane, oxamethane
    • Neocuproine hydrate
    • MDL: MFCD23140843
    • Inchi: 1S/C14H12N2.2H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;;/h3-8H,1-2H3;2*1H2
    • InChI Key: ZXZMFQSPQNDPMH-UHFFFAOYSA-N
    • SMILES: O([H])[H].O([H])[H].N1=C(C([H])([H])[H])C([H])=C([H])C2C([H])=C([H])C3C([H])=C([H])C(C([H])([H])[H])=NC=3C1=2
    • BRN: 153179

Computed Properties

  • Exact Mass: 434.21100
  • Monoisotopic Mass: 244.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 227
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 27.8

Experimental Properties

  • Color/Form: powder
  • Density: 1.1780
  • Melting Point: 160.0 to 164.0 deg-C
  • Boiling Point: 442.7°Cat760mmHg
  • Flash Point: 221.5°C
  • Solubility: methanol: 0.1?g/mL, clear
  • PSA: 60.79000
  • LogP: 6.73530
  • Sensitiveness: Sensitive to light
  • Merck: 6449
  • Solubility: methanol

Neocuproine Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-37/38-41
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • TSCA:Yes
  • Risk Phrases:R36/37/38

Neocuproine Customs Data

  • HS CODE:29339900

Neocuproine Pricemore >>

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