3,5-Dichlorophenyl isocyanate - ≥97% , CAS No.34893-92-0

CAS: 34893-92-0 Cat. No.: D103628 分子式: Cl₂C₆H₃NCO 分子量: 188.01 EC番号: 252-276-9

GRADE & PURITY ≥97%

Synonyms

D91122 | DTXSID2067878 | FT-0614565 | 3,5-Dichlorophenyl isocyanate, redistilled | ALUMINUMMOLYBDATE | LS-13245 | 3,5dichlorophenyl isocyanate | 3,5-Dichlorophenyl isocyanate | 3,5-dichloro-phenyl isocyanate | 3,5-Dichlorophenyl isocyantae | 1,3-Dichloro-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

3,5-Dichlorophenyl isocyanate can be used: · As a reactant to synthesize 3-(3,5-Dichlorophenyl)-2,4-oxazolidinedione (DCPO). · To synthesize phenylcarbamate derivatives of cellulose and amylose, which are useful as polysaccharide-based chiral stationary phases (CSPs).

Specifications

同義語

D91122 | DTXSID2067878 | FT-0614565 | 3,5-Dichlorophenyl isocyanate, redistilled | ALUMINUMMOLYBDATE | LS-13245 | 3,5dichlorophenyl isocyanate | 3,5-Dichlorophenyl isocyanate | 3,5-dichloro-phenyl isocyanate | 3,5-Dichlorophenyl isocyantae | 1,3-Dichloro-

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 504756223
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756223
• カノニカル・スマイル: C1=C(C=C(C=C1Cl)Cl)N=C=O
• IUPAC Name: 1,3-dichloro-5-isocyanatobenzene
• InChIKey: XEFUJGURFLOFAN-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
• 異性体SMILES: C1=C(C=C(C=C1Cl)Cl)N=C=O
• WGKドイツ: 3
• UN番号: 2250
• 分子量: 188.01
• Reaxy-Rn: 510282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510282&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Hydrolysis with water.
• 感度: Moisture Sensitive;Heat sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 134°C
• 沸点（°C）: 242-244°C
• 融点（°C）: 32-34°C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34893-92-0, the molecular formula is C7H3Cl2NO, and the molecular weight is 188.01 g/mol. InChIKey XEFUJGURFLOFAN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.