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Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide - >98.0%(N), high purity , CAS No.68271-98-7
Basic Description
Synonyms | [2-[4-[4-(2-azanidylidene-1-cyanoethenyl)phenyl]phenyl]-2-cyanoethenylidene]azanide;tetrabutylazanium | bis(tetrabutylammonium)tetracyanodiphenoquinodimethanide | D88815 | BIS(TETRA-N-BUTYLAMMONIUM) TETRACYANODIPHENOQUINODIMETHANIDE | Bis(N,N,N-tributylbu |
Specifications & Purity | ≥98%(N) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | [2-[4-[4-(2-azanidylidene-1-cyanoethenyl)phenyl]phenyl]-2-cyanoethenylidene]azanide;tetrabutylazanium |
INCHI | InChI=1S/C18H8N4.2C16H36N/c19-9-17(10-20)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18(11-21)12-22;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-8H;2*5-16H2,1-4H3/q-2;2*+1 |
InChi Key | NJFQTNXYFOEFJU-UHFFFAOYSA-N |
Canonical SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C2=CC=C(C=C2)C(=C=[N-])C#N)C(=C=[N-])C#N |
Isomeric SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C2=CC=C(C=C2)C(=C=[N-])C#N)C(=C=[N-])C#N |
PubChem CID | 44630139 |
Molecular Weight | 765.23 |
Reaxy-Rn | 7328981 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 765.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 27 |
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Exact Mass | 764.644 Da |
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Monoisotopic Mass | 764.644 Da |
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Topological Polar Surface Area | 49.600 Ų |
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Heavy Atom Count | 56 |
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Formal Charge | 0 |
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Complexity | 628.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 3 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
Reaxy-Rn | 7328981 |
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