5-Chlorosaligenyl-N,N-diisopropylphosphoramidite - ≥95% , CAS No.1620086-77-2

CAS: 1620086-77-2 Cat. No.: C153709 Molecular Weight: 287.72 EC Number: 834-008-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL15907915 | 5-Chlorosaligenyl-N,N-diisopropylphosphoramidite | 6-Chloro-N,N-diisopropyl-4H-benzo[d][1,3,2]dioxaphosphinin-2-amine | MFCD30725743 | C3326 | T70372 | 1620086-77-2 | VPC08677 | 6-chloro-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL15907915 | 5-Chlorosaligenyl-N, N-diisopropylphosphoramidite | 6-Chloro-N, N-diisopropyl-4H-benzo[d][1, 3, 2]dioxaphosphinin-2-amine | MFCD30725743 | C3326 | T70372 | 1620086-77-2 | VPC08677 | 6-chloro-N, N-di(propan-2-yl)-4H-1, 3, 2-benzodioxaphosphinin-

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)N(C(C)C)P1OCC2=C(O1)C=CC(=C2)Cl
• IUPAC Name: 6-chloro-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine
• InChIKey: ZJPWJYRCWIYHMH-UHFFFAOYSA-N
• INCHI: 1S/C13H19ClNO2P/c1-9(2)15(10(3)4)18-16-8-11-7-12(14)5-6-13(11)17-18/h5-7,9-10H,8H2,1-4H3
• Isomeric SMILES: CC(C)N(C(C)C)P1OCC2=C(O1)C=CC(=C2)Cl
• Molecular Weight: 287.72
• Reaxy-Rn: 28732172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28732172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Benzenoids Oxacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Aryl chloride - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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

• Sensitivity: Air sensitive；Heat sensitive；Moisture sensitive；
• Melt Point(°C): 45 °C
• Molecular Weight: 287.720 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 287.084 Da
• Monoisotopic Mass: 287.084 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1