[1,3-Bis(diphenylphosphino)propane]nickel(II) chloride - ≥98% , CAS No.15629-92-2

CAS: 15629-92-2 Cat. No.: N101085 Molecular Weight: 542.04 EC Number: 605-052-3 PubChem CID: 2724937

GRADE & PURITY ≥98%

Synonyms

[1,3-Bis(diphenylphosphino)propane] dichloronickel (II) | 1,3-bis(diphenylphosphino)propanenickel(ii) chloride | AKOS005259144 | dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane | GC10043 | [1,3-Bis(diphenylphosphino)propane]dichloronickel(II)

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

[1, 3-Bis(diphenylphosphino)propane] dichloronickel (II) | 1, 3-bis(diphenylphosphino)propanenickel(ii) chloride | AKOS005259144 | dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane | GC10043 | [1, 3-Bis(diphenylphosphino)propane]dichloronickel(II)

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]Cl
• IUPAC Name: dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
• InChIKey: ZBQUMMFUJLOTQC-UHFFFAOYSA-L
• INCHI: 1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]Cl
• WGK Germany: 3
• PubChem CID: 2724937
• Molecular Weight: 542.04
• Reaxy-Rn: 13876693

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• 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: Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organophosphorus compound - 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: 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 213°C
• Molecular Weight: 542.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 540.024 Da
• Monoisotopic Mass: 540.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 353.000
• 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: 2

XLogP3

References

1. Yanlin Zhang, Churu Xie, Feng Long Gu, Honghai Wu, Qiang Guo.  (2016)  Significant visible-light photocatalytic enhancement in Rhodamine B degradation of silver orthophosphate via the hybridization of N-doped graphene and poly(3-hexylthiophene).  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:27152973] [10.1016/j.jhazmat.2016.04.068]

2. Jin Wang, Chenchen Guo, Yongqiang Yu, Huabing Yin, Xueting Liu, Yang Jiang.  (2015)  Self-doped 3-hexylthiophene-b-sodium styrene sulfonate block copolymer: synthesis and its organization with CdSe quantum dots.  RSC Advances,  5  (23): (17905-17914).  [PMID:] [10.1039/C4RA15195J]

3. Zong-Quan Wu, Deng-Feng Liu, Ying Wang, Na Liu, Jun Yin, Yuan-Yuan Zhu, Long-Zhen Qiu, Yun-Sheng Ding.  (2013)  One pot synthesis of a poly(3-hexylthiophene)-b-poly(quinoxaline-2,3-diyl) rod–rod diblock copolymer and its tunable light emission properties.  Polymer Chemistry,  4  (17): (4588-4595).  [PMID:] [10.1039/C3PY00708A]

4. Zong-Quan Wu, Cheng-Gang Qi, Na Liu, Ying Wang, Jun Yin, Yuan-Yuan Zhu, Long-Zhen Qiu, Hong-Bo Lu.  (2013)  One-pot synthesis of conjugated poly(3-hexylthiophene)-b-poly(phenyl isocyanide) hybrid rod–rod block copolymers and its self-assembling properties.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  51  (13): (2939-2947).  [PMID:] [10.1002/pola.26689]

5. Hao Zhan, Hao Zheng, Bingjie Wu, Yanan Guo, Yongjie Dong, Qingqing Zhao, Xuebing Luo, Juan Peng.  (2026)  Tuning Edge-On/Face-On Crystal Orientation in Conjugated Donor–Acceptor Block Copolymers via Molecular Engineering.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c02912]