Bathocuproine (purified by sublimation)
Catalog Number
ACM4733395-1
CAS
4733-39-5
IUPAC Name
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
Synonyms
2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (purified by sublimation)
Molecular Weight
360.46
Molecular Formula
C26H20N2
Product Information
Canonical SMILES
CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5
Inchi
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N
Melting Point
283 °C
Purity
>99.0%(T)(HPLC)
Appearance
Light yellow to Yellow to Green powder to crystal
storage
Store under inert gas
Complexity
461
Condition To Avoid
Air Sensitive
Hazard Statements
H302 : Harmful if swallowed.H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
28
MDL Number
MFCD00004972
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
306714
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
360.162649g/mol
Exact Mass
360.162649g/mol
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