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Disperse Orange 37 - for microscopy, high purity , CAS No.13301-61-6
Basic Description
Synonyms
Disperse Orange 37 | 13301-61-6 | Disperse Orange 76 | C.I. Disperse Orange 37 | Disperse Orange 37 | 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile | 12223-33-5 | 3-[{4-[(e)-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propaneni
Specifications & Purity
for microscopy
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azobenzenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azobenzenes
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines Aryl chlorides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Azobenzene - Nitrobenzene - 1,3-dichlorobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - Tertiary amine - Azo compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonitrile - Nitrile - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
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
504755667
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755667
IUPAC Name
3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
INCHI
InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3
InChIKey
KHZRTXVUEZJYNE-UHFFFAOYSA-N
Smiles
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
Isomeric SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
WGK Germany
3
Molecular Weight
392.24
Beilstein
6348868
Reaxy-Rn
1845235
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1845235&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
392.200 g/mol
XLogP3
5.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
391.06 Da
Monoisotopic Mass
391.06 Da
Topological Polar Surface Area
97.600 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
527.000
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
Citations of This Product
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1 Citations
J2228403