2,4,6-Trichlorophenyl Isocyanate - ≥98%(GC) , CAS No.2505-31-9

CAS: 2505-31-9 Cat. No.: T162644 Formula: C₇H₂Cl₃NO Peso molecolare: 222.45 Beilstein Registry Number: 12(3)1413 Numero EC: 623-215-7 PubChem CID: 613574

GRADE & PURITY ≥98%(GC)

Synonyms

1,3,5-Trichloro-2-isocyanatobenzene | EN300-271051 | MFCD00013845 | 2,4,6-trichlorphenylisocyanat | AKOS009158986 | I0565 | 2,4,6-Trichlorophenylisocyanate | DTXSID20346614 | 2,4,6trichlorophenyl isocyanate | 2,4,6-Trichlorophenyl isocyanate | T72162 | 1,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

1,3,5-Trichloro-2-isocyanatobenzene | EN300-271051 | MFCD00013845 | 2,4,6-trichlorphenylisocyanat | AKOS009158986 | I0565 | 2,4,6-Trichlorophenylisocyanate | DTXSID20346614 | 2,4,6trichlorophenyl isocyanate | 2,4,6-Trichlorophenyl isocyanate | T72162 | 1,

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

508813473

Sorrisi canonici

C1=C(C=C(C(=C1Cl)N=C=O)Cl)Cl

IUPAC Name

1,3,5-trichloro-2-isocyanatobenzene

InChIKey

VDYWXVDWKFAUKE-UHFFFAOYSA-N

INCHI

1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

Isomeri SMILES

C1=C(C=C(C(=C1Cl)N=C=O)Cl)Cl

PubChem CID

613574

Peso molecolare

222.45

Beilstein

12(3)1413

Reaxy-Rn

514678

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: 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: Chlorobenzene - Aryl chloride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture Sensitive；Heat Sensitive；Hygroscopic
• Punto di ebollizione (°C): 101°C/2mmHg(lit.)
• Punto di fusione (°C): 67 °C
• Peso molecolare: 222.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 220.92 Da
• Monoisotopic Mass: 220.92 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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