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Triisocyanato(methyl)silane - 96%, high purity , CAS No.5587-61-1
Basic Description
Synonyms
T3683 | MFCD00061499 | SCHEMBL648761 | BS-44168 | Silane, triisocyanotomethyl- | D92732 | Triiscyanato(Methyl)Silane | DTXSID40204464 | Q17352167 | TRIISOCYANATO-METHYL-SILANE | triisocyanato(methyl)silane
Specifications & Purity
≥96%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organometalloid compounds
Subclass
Organosilicon compounds
Intermediate Tree Nodes
Not available
Direct Parent
N-silyl compounds
Alternative Parents
Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
N-silyl compound - Organoheterosilane - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as n-silyl compounds. These are organosilicon compounds containing at least one silicon-nitrogen bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504757165
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757165
IUPAC Name
triisocyanato(methyl)silane
INCHI
InChI=1S/C4H3N3O3Si/c1-11(5-2-8,6-3-9)7-4-10/h1H3
InChIKey
DFJSZWHUOKADCX-UHFFFAOYSA-N
Smiles
C[Si](N=C=O)(N=C=O)N=C=O
Isomeric SMILES
C[Si](N=C=O)(N=C=O)N=C=O
PubChem CID
138536
UN Number
2478
Packing Group
III
Molecular Weight
169.17
Reaxy-Rn
1777646
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture Sensitive；heat sensitive
Refractive Index
1.44
Flash Point(°C)
60 °C
Boil Point(°C)
171 °C
Melt Point(°C)
3 °C
Molecular Weight
169.170 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
168.994 Da
Monoisotopic Mass
168.994 Da
Topological Polar Surface Area
88.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
237.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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C2311676