2,6-Dichlorophenyl Isocyanate - ≥95% , CAS No.39920-37-1

CAS: 39920-37-1 Cat. No.: D155977 Formula: C₇H₃Cl₂NO Peso molecolare: 188.01 Numero EC: 254-699-4

QUALITÀ & PUREZZA ≥95%

Synonyms

Isocyanic Acid 2,6-Dichlorophenyl Ester | 2,6-Dichlorophenylisocyanate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

Isocyanic Acid 2,6-Dichlorophenyl Ester | 2,6-Dichlorophenylisocyanate

Specifiche e purezza

≥95%

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

≥95%

Nomi e identificatori

Pubchem Sid

528771769

Sorrisi canonici

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

IUPAC Name

1,3-dichloro-2-isocyanatobenzene

InChIKey

HMVKMAMIRAVXAN-UHFFFAOYSA-N

INCHI

1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

188.01

Reaxy-Rn

608323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• 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: 1,3-dichlorobenzene - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Solubilità: Soluble in Toluene
• Sensibilità: Heat & Moisture Sensitive
• Punto di infiammabilità (°F): 170.6 °F
• Punto di infiammabilità (°C): 77 °C
• Punto di ebollizione (°C): 130°C/3mmHg(lit.)
• Punto di fusione (°C): 42-48°C
• Peso molecolare: 188.010 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.959 Da
• Monoisotopic Mass: 186.959 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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