Di-o-tolylchlorophosphine - ≥98% , CAS No.36042-94-1

CAS: 36042-94-1 Cat. No.: D303542 Molecular Weight: 248.7 EC Number: 627-413-4

GRADE & PURITY ≥98%

Synonyms

MFCD04038733 | chloroditolylphosphine | KAAGXBGJRWFWPT-UHFFFAOYSA-N | AKOS015900259 | Chlorodi(o-tolyl)phosphine | Bis(o-tolyl)chlorophosphine | Di(o-tolyl)chlorophosphine | SCHEMBL541710 | 3-[[3-(dodecylamino)propyl]amino]butyricacid | chlorodio-tolylpho

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD04038733 | chloroditolylphosphine | KAAGXBGJRWFWPT-UHFFFAOYSA-N | AKOS015900259 | Chlorodi(o-tolyl)phosphine | Bis(o-tolyl)chlorophosphine | Di(o-tolyl)chlorophosphine | SCHEMBL541710 | 3-[[3-(dodecylamino)propyl]amino]butyricacid | chlorodio-tolylpho

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl
• IUPAC Name: chloro-bis(2-methylphenyl)phosphane
• InChIKey: KAAGXBGJRWFWPT-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
• Isomeric SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl
• Molecular Weight: 248.7
• Reaxy-Rn: 2940232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940232&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Organophosphorus compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

• Solubility: Not miscible or difficult to mix in water.
• Sensitivity: Moisture & air sensitive
• Flash Point(°C): 169.9°C
• Boil Point(°C): 174-178°/3mm
• Melt Point(°C): 63-67°C
• Molecular Weight: 248.690 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 248.052 Da
• Monoisotopic Mass: 248.052 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 197.000
• 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