Nickel(II) 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine
CAS #: 155773-70-9
Product Code : ENi-A737-CU-CU
CAS #: 155773-70-9
Linear Formula: C80H88N8NiO8
MDL Number: MFCD00192345
EC No.: N/A
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Synonyms
5, 9, 14, 18, 23, 27, 32, 36-Octabutoxy-2, 3-naphthalocyanine nickel(II) salt NI 5, 9, 14, 18, 23, 27, 32, 36-OCTABUTOXY-2, 3-NAPHTHALOCYANINE Nickel(II) 5, 9, 14, 18, 23, 27, 32, 36-octabutoxy-2, 3-naphthalocyanine
Compound Formula: C80H88N8NiO8
Molecular Weight: 1348.3
Appearance: Dark Green to Black Powder/ Crystals
Melting Point: N/A
Boiling Point: N/A
Density: N/A
Solubility in H2O: N/A
Exact Mass: 1346.60786
Monoisotopic Mass: 1346.608032
Health & Safety Information
Signal Word: Danger
Hazard Statements: H334
Hazard Codes: T
Risk Codes: 49-43
Safety Statements: 53-36/37/39-45
RTECS Number: N/A
Transport Information: N/A
WGK Germany: 3
Chemical Identifiers
Linear Formula: C80H88N8NiO8
Pubchem CID: 16133043
MDL Number: MFCD00192345
EC No.: N/A
IUPAC Name: (26Z,38Z,51Z)-3,10 ,16,23,29,36,42,49-octabutoxy- 13,26,39,52,53,55,56,57- octaaza-54-nickelatetradecacyclo [25.25.3.1^{14,25}.1^{40,51}. 0^{2,11}.0^{4,9}.0^{12,53}.0^ {15,24}.0^{17,22}.0^{28,37}. 0^{30,35}.0^{38,55}.0^{41,50} .0^{43,48}]heptapentaconta-1
SMILES: CCCCOc1c%14c(c(OCCCC)c2ccccc12)C=%12/N=C%14/N=C5\N6[Ni]n%13c(\N=C7/N=C(/N=C6/c4c(OCCCC)c3ccccc3c(OCCCC)c45)c9c7c(OCCCC)c8ccccc8c9OCCCC)c%11c(c(OCCCC)c%10ccccc%10c%11OCCCC)c%13N=%12
InchI Identifier: 1S/C80H88N8O8.Ni/c1-9-17-41-89-65-49-33-25-26-34-50(49)66(90-42-18-10-2)58-57(65)73-81-74(58)86-76-61-62(70(94-46-22-14-6)54-38-30-29-37-53(54)69(61)93-45-21-13-5)78(83-76)88-80-64-63(71(95-47-23-15-7)55-39-31-32-40-56(55)72(64)96-48-24-16-8)79(84-80)87-7
InchI Key: ZRFVVSDVYUSJMJ-UHFFFAOYSA-N
