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Benzene solution - analytical standard,1.02mg/ml in methanol, high purity , CAS No.71-43-2(Methanol)
Basic Description
Synonyms
benzene | benzol | 71-43-2 | Cyclohexatriene | benzole | Pyrobenzole | Benzine | Benzen | Coal naphtha | Pyrobenzol | Mineral naphtha | Phene | Phenyl hydride | Benzolene | Bicarburet of hydrogen | Motor benzol | Benzeen | Benzin | Benzolo | Fenzen | [6]Annulene | Nitration benzene | (6)Annulene | Be
Specifications & Purity
analytical standard, 1.02mg/ml in methanol
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
an aromatic compound
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(Human)
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
benzene
INCHI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey
UHOVQNZJYSORNB-UHFFFAOYSA-N
Smiles
C1=CC=CC=C1
Isomeric SMILES
C1=CC=CC=C1
WGK Germany
3
RTECS
CY1400000
UN Number
1230
Molecular Weight
78.11
Beilstein
969212
Reaxy-Rn
969212
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969212&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic.
Refractive Index
1.50108
Flash Point(°C)
-11℃
Boil Point(°C)
80.1°C
Melt Point(°C)
5.5°C
Molecular Weight
78.110 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
78.047 Da
Monoisotopic Mass
78.047 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
15.500
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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1 Citations
I2209184