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Acetonitrile - standard for GC,≥99.9%, high purity , CAS No.75-05-8
Basic Description
Synonyms
Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | Acetonitrile 1000 microg/mL in Methanol | Acetonitrile, puriss., 95% | Acetonitrile, Environmental Grade | Acetonitrile, for DNA synthes
Specifications & Purity
Standard for GC, ≥99.9%
Shipped In
Normal
Grade
Standard for GC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Organic cyanides
Intermediate Tree Nodes
Not available
Direct Parent
Nitriles
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors
aliphatic nitrile
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
acetonitrile
INCHI
InChI=1S/C2H3N/c1-2-3/h1H3
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Smiles
CC#N
Isomeric SMILES
CC#N
WGK Germany
2
PubChem CID
6342
UN Number
1648
Packing Group
II
Molecular Weight
41.05
Beilstein
741857
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.343-1.345
Flash Point(°C)
2 °C
Boil Point(°C)
81-82°C
Melt Point(°C)
-46°C
Molecular Weight
41.050 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
41.0265 Da
Monoisotopic Mass
41.0265 Da
Topological Polar Surface Area
23.800 Ų
Heavy Atom Count
3
Formal Charge
0
Complexity
29.300
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
Citations of This Product
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2455 Citations
J2416262