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· · COA & SDS available for every product · Same-day shipping on in-stock items PCB No 3 - ≥98% , CAS No.2051-62-9
Synonyms
1-chloranyl-4-phenyl-benzene|4-Chlorbiphenyl|PCB No. 3|4-Chlorodiphenyl|4-CHLOROBIPHENYL|4-Chloro-Biphenyl|1-Chloro-4-phenylbenzene|4-Monochlorobiphenyl|4-Monochloro-biphenyl|4-chloro-1,1''-biphenyl|4-Chloro-1,1'-biphenyl|1-chloro-4-phenyl benzene|1,1'-Biphenyl, 4-chloro-|4-Chlorobiphenyl-d5|p-Chlorodiphenyl|4-chlorophenylbenzene|CHLORO-1,1'-BIPHENYL, 4-|p-Chlorobiphenyl|PCB 3
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Specifications Synonyms
1-chloranyl-4-phenyl-benzene | 4-Chlorbiphenyl | PCB No. 3 | 4-Chlorodiphenyl | 4-CHLOROBIPHENYL | 4-Chloro-Biphenyl | 1-Chloro-4-phenylbenzene | 4-Monochlorobiphenyl | 4-Monochloro-biphenyl | 4-chloro-1,1''-biphenyl | 4-Chloro-1,1'-biphenyl | 1-chloro-4-phenyl benzene | 1,1'-Biphenyl, 4-chloro- | 4-Chlorobiphenyl-d5 | p-Chlorodiphenyl | Show more
Specifications & Purity
≥98%
Shipped In
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Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752747
Canonical Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
IUPAC Name
1-chloro-4-phenylbenzene
InChIKey
FPWNLURCHDRMHC-UHFFFAOYSA-N
INCHI
1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774966&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Chlorinated biphenyls Alternative Parents Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Chlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety. External Descriptors monochlorobiphenyl 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties x_boil_point_char 291°C x_melt_point_char 77.7°C Molecular Weight 188.650 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0 Rotatable Bond Count 1 Exact Mass 188.039 Da Monoisotopic Mass 188.039 Da Topological Polar Surface Area 0.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 141.000 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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