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2-(3-chloropyrazin-2-yl)acetonitrile - 97%, high purity , CAS No.914360-88-6
Basic Description
Synonyms
914360-88-6 | 2-(3-Chloropyrazin-2-yl)acetonitrile | 3-Chloro-2-pyrazineacetonitrile | MFCD15146238 | DTXSID60551760 | (3-Chloropyrazin-2-yl)acetonitrile | AMY16167 | 2-(3-Chloro-2-pyrazinyl)acetonitrile | AKOS016005609 | PB11137 | AS-34544 | SY097046 | CS-0052282 | FT-0770365 | EN3
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazines
Alternative Parents
Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
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
IUPAC Name
2-(3-chloropyrazin-2-yl)acetonitrile
INCHI
InChI=1S/C6H4ClN3/c7-6-5(1-2-8)9-3-4-10-6/h3-4H,1H2
InChIKey
QYOUXNLAVKGTBD-UHFFFAOYSA-N
Smiles
C1=CN=C(C(=N1)CC#N)Cl
Isomeric SMILES
C1=CN=C(C(=N1)CC#N)Cl
Molecular Weight
153.57
Reaxy-Rn
10424230
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10424230&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.570 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
153.009 Da
Monoisotopic Mass
153.009 Da
Topological Polar Surface Area
49.600 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
150.000
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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