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2,3-Dichlorotoluene - analytical standard, for environmental analysis, high purity , CAS No.32768-54-0
Basic Description
Synonyms
2,3-DICHLOROTOLUENE | 32768-54-0 | 1,2-Dichloro-3-methylbenzene | Benzene, 1,2-dichloro-3-methyl- | Toluene, 2,3-dichloro- | EINECS 251-203-8 | 2,3-dichloro-toluene | EC 251-203-8 | SCHEMBL28351 | DTXSID0067717 | SCHEMBL10520742 | GWLKCPXYBLCEKC-UHFFFAOYSA- | 1,2-Dichloro-3-meth
Specifications & Purity
analytical standard, for environmental analysis
Shipped In
Normal
Grade
analytical standard, for environmental analysis
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1,2-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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
1,2-dichloro-3-methylbenzene
INCHI
InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey
GWLKCPXYBLCEKC-UHFFFAOYSA-N
Smiles
CC1=C(C(=CC=C1)Cl)Cl
Isomeric SMILES
CC1=C(C(=CC=C1)Cl)Cl
WGK Germany
3
UN Number
2238
Molecular Weight
161.03
Beilstein
2412384
Reaxy-Rn
2412384
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412384&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Freezing Point(°C)
4 °C
Refractive Index
1.55-1.552
Flash Point(°F)
83℃
Flash Point(°C)
83℃
Boil Point(°C)
207-208°C
Melt Point(°C)
6°C
Molecular Weight
161.030 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
159.985 Da
Monoisotopic Mass
159.985 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
92.900
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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C2110162