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

CAS: 34893-92-0 Cat. No.: D103628 Fórmula: Cl₂C₆H₃NCO Peso molecular: 188.01 Número CE: 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

Visão geral

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

Sinónimos

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-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504756223
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756223
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=C(C=C(C=C1Cl)Cl)N=C=O
• WGK Alemanha: 3
• Número UN: 2250
• Peso molecular: 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
    • 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Hydrolysis with water.
• Sensibilidade: Moisture Sensitive;Heat sensitive
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 134°C
• Ponto de ebulição (°C): 242-244°C
• Ponto de fusão (°C): 32-34°C
• Peso molecular: 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

Referências

1. Xing Juan Chen, Guang Lei Yang, Xiao Dong Xu, Jin Jin Sheng, Jun Shen, Hong Xing Dong.  (2016)  Preparation and chromatographic evaluation of β-cyclodextrin derivative CSPs bearing substituted phenylcarbamate groups for HPLC.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2016.1227993]

2. Yali Yang, Jia Chen, Xiaojing Liang, Bei Liu, Kaijun Quan, Xiuhui Liu, Hongdeng Qiu.  (2024)  Adjustable chromatographic performance of silica-based mixed-mode stationary phase through the control of co-grafting amounts of imidazole and C18 chain.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38598894] [10.1016/j.chroma.2024.464889]

3. Linbin Zheng, Meng Li, Zhouyu Jiang, Junyan Fan, Zengbo Fang, Jihuai Zheng, Yan Cui.  (2024)  Synthesis of a novel β-cyclodextrin chiral stationary phase and its application to the evaluation of the enantioselective bioaccumulation and elimination behavior of tebuconazole in Rana nigromaculata tadpoles.  ANALYTICA CHIMICA ACTA,      [PMID:39532427] [10.1016/j.aca.2024.343344]

4. Jing Lin, Dan Li, Peiyuan Luo, Laisheng Li.  (2025)  Preparation of a phenylcarbamoylethylenediureido-β-cyclodextrin-bonded phase for enantioseparation and determination of cyproconazole, metconazole and other triazole fungicides in fruits and vegetables by high-performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40737853] [10.1016/j.chroma.2025.466258]

5. Jing Lin, Dan Li, Peiyuan Luo, Laisheng Li.  (2025)  Simultaneous separation on a bisphenylureido β-cyclodextrin column and determination of eight antihistamine enantiomers in human plasma by HPLC.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:40850040] [10.1016/j.jchromb.2025.124771]

Perguntas frequentes

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.