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3,3'-Dichloro-4,4'-diisocyanatobiphenyl - >95.0%(HPLC), high purity , CAS No.5331-87-3

COA

Grade & Purity:

≥95%(HPLC)

Cas Number: 5331-87-3
Poids moléculaire: 305.11
MDL number: MFCD00059591
PubChem CID: 220082

En stock

Item Number

D155476

Articles du produit groupé
SKU	Taille	Disponibilité	Prix
D155476-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	45,90$US
D155476-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	176,90$US
D155476-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	513,90$US

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Imide (271) Polymer / polymer reagent (675)

Description générale

Synonymes	3,3'-Dichloro-4,4'-diisocyanatobiphenyl \| DTXSID20277434 \| A829508 \| D89879 \| 3,3'-Dichlorobiphenyl-4,4'-diyl Diisocyanate \| 2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene \| 3,3'-Dichloro-4,4'-diisocyanatobiphenyl, >/=95% \| 3,3'-Dichloro-4,4
Spécifications et pureté	≥95%(HPLC)
Température de stockage	Store at 2-8°C
Expédié en	Wet ice Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Benzidines
        Level6 3,3'-disubstituted benzidines

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Benzidines
Direct Parent	3,3'-disubstituted benzidines
Alternative Parents	Polychlorinated biphenyls Chlorobenzenes Aryl chlorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3,3'-disubstituted benzidine - Polychlorinated biphenyl - Chlorinated biphenyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Noms et identifiants

IUPAC Name	2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene
INCHI	InChI=1S/C14H6Cl2N2O2/c15-11-5-9(1-3-13(11)17-7-19)10-2-4-14(18-8-20)12(16)6-10/h1-6H
InChIKey	JITXMLLVGWGFGV-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O
Isomères SMILES	C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O
Poids moléculaire	305.11
Reaxy-Rn	3383276
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3383276&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriétés chimiques et physiques

Solubilité	Slightly soluble in Toluene
Sensibilité	Moisture Sensitive,Heat Sensitive
Point de fusion (°C)	168 °C
Poids moléculaire	305.100 g/mol
XLogP3	6.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	303.981 Da
Monoisotopic Mass	303.981 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	393.000
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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