Cas no 34893-92-0 (1,3-dichloro-5-isocyanatobenzene)

1,3-dichloro-5-isocyanatobenzene structure
34893-92-0 structure
Product Name:1,3-dichloro-5-isocyanatobenzene
CAS No:34893-92-0
MF:C7H3Cl2NO
MW:188.010819673538
MDL:MFCD00013859
CID:54336
PubChem ID:94460
Update Time:2025-11-02

1,3-dichloro-5-isocyanatobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-dichloro-5-isocyanatobenzene
    • 1,3-DICHLORO-5-PHENYL ISOCYANATE
    • 1,3-dichloro-5-isocyanato-benzen
    • Benzene, 1,3-dichloro-5-isocyanato-
    • 3,5-DICHLOROPHENYL ISOCYANATE
    • 3,5-DICHLOROISOCYANATOBENZENE
    • ISOCYANIC ACID 3,5-DICHLOROPHENYL ESTER
    • 3,5-Dichlorophenylisocyantae
    • 1-Isocyanato-3,5-dichlorobenzene
    • 3,4-dichlorophenyl isocyanate
    • 3,5-dichlorobenzenisocyanate
    • 3,5-Dichlorophenyl i
    • 4,5-Dichlorophenyl isocyanate
    • Benzene,1,3-dichloro-5-isocyanato
    • 1,3-Dichloro-5-isocyanato-benzene
    • 3,5-Dichlorophenyl isocyantae
    • EC 252-276-9
    • 3, 5-dichlorophenyl isocyanate
    • DTXSID2067878
    • NS00002713
    • AMY23241
    • 3,5-dichloro-phenyl isocyanate
    • 3,5dichlorophenyl isocyanate
    • SCHEMBL93410
    • EN300-118947
    • 1,3-dichloro-5-iso-cyanatobenzene
    • 1,3-Dichloro-5-isocyanatobenzene #
    • 3,5-Dichlorophenyl isocyanate, 96%
    • AKOS000173292
    • ALUMINUMMOLYBDATE
    • I0302
    • 3,5-dichlorophenyl-isocyanate
    • A6129
    • LS-13245
    • 34893-92-0
    • EINECS 252-276-9
    • 3,5-Dichlorophenylisocyanate
    • D91122
    • W-106701
    • 3,5-dichloro-phenylisocyanate
    • CS0063
    • GEO-01007
    • 3,5-Dichlorophenyl isocyanate, redistilled
    • FT-0614565
    • MFCD00013859
    • 3,5-Dichlorophenyl isocyanate,97%
    • 3,5-Dichloro-1-isocyanatobenzene; 3,5-Dichlorophenyl isocyanate
    • DB-022042
    • DTXCID4038922
    • ALBB-021387
    • MDL: MFCD00013859
    • Inchi: 1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
    • InChI Key: XEFUJGURFLOFAN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1)N=C=O)Cl
    • BRN: 510282

Computed Properties

  • Exact Mass: 186.95900
  • Monoisotopic Mass: 186.959169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4
  • Topological Polar Surface Area: 29.4

Experimental Properties

  • Color/Form: White crystals with pungent odor
  • Density: 1.38?g/mL?at 25?°C(lit.)
  • Melting Point: 32-34?°C (lit.)
  • Boiling Point: 243 oC
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.6000 (estimate)
  • Solubility: decomposes
  • Water Partition Coefficient: decomposition
  • PSA: 29.43000
  • LogP: 2.96070
  • Solubility: Insoluble in water
  • Sensitiveness: Moisture Sensitive

1,3-dichloro-5-isocyanatobenzene Security Information

1,3-dichloro-5-isocyanatobenzene Customs Data

  • HS CODE:2929109000
  • Customs Data:

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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1,3-dichloro-5-isocyanatobenzene Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
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(CAS:34893-92-0)3,5-二氯苯異氰酸酯
Order Number:LE25925917
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:53
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:34893-92-0)3,5-dichlorophenyl isocyanate
Order Number:sfd18088
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:34893-92-0)1,3-dichloro-5-isocyanatobenzene
Order Number:A1202064
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:46
Price ($):300.0

Additional information on 1,3-dichloro-5-isocyanatobenzene

Professional Introduction to 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0)

1,3-dichloro-5-isocyanatobenzene, identified by its Chemical Abstracts Service (CAS) number 34893-92-0, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This heterocyclic aromatic derivative features a benzene ring substituted with two chlorine atoms and an isocyanate functional group at the 5-position. Its unique structural properties make it a valuable intermediate in the synthesis of various high-value compounds, particularly in the development of agrochemicals, pharmaceuticals, and advanced materials.

The molecular structure of 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) consists of a benzene core with chloro substituents at the 1 and 3 positions, and an isocyanate group (-N=C=O) at the 5 position. This arrangement imparts distinct reactivity, making it a versatile building block for further functionalization. The presence of both electron-withdrawing chlorine atoms and a highly reactive isocyanate group enhances its utility in cross-coupling reactions, polymerization processes, and the synthesis of biologically active molecules.

In recent years, 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) has been extensively studied for its potential applications in medicinal chemistry. Researchers have leveraged its reactivity to develop novel heterocyclic scaffolds that exhibit promising pharmacological properties. For instance, derivatives of this compound have been investigated for their antimicrobial, anti-inflammatory, and anticancer activities. The isocyanate group serves as a key site for nucleophilic addition reactions, enabling the introduction of diverse functional moieties that can modulate biological activity.

One of the most compelling aspects of 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) is its role in polymer chemistry. The isocyanate functionality allows for the formation of polyurethane-like materials through reaction with polyols or other nucleophiles. These polymers exhibit exceptional thermal stability, mechanical strength, and chemical resistance, making them suitable for advanced applications in coatings, adhesives, and elastomers. Additionally, researchers have explored its use in the development of shape-memory polymers and self-healing materials, where dynamic covalent bonds play a crucial role.

The agrochemical industry has also benefited from the incorporation of 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) into novel pesticide formulations. Its structural motifs are often found in herbicides and insecticides due to their ability to interact selectively with biological targets. Recent studies have demonstrated that derivatives of this compound can disrupt metabolic pathways in pests while maintaining low toxicity to non-target organisms. This aligns with the growing demand for environmentally sustainable agricultural solutions.

From a synthetic chemistry perspective, 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) serves as a critical precursor in multi-step syntheses. Its reactivity allows for the construction of complex molecular architectures through sequential functionalization. For example, it can be converted into amides or ureas via hydrolysis or reaction with amines, which are then further modified to produce bioactive compounds. The chlorine substituents provide additional handles for cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings, enabling access to arylated derivatives with tailored properties.

The pharmaceutical industry has shown particular interest in 1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) due to its potential as a lead compound or intermediate in drug discovery programs. Researchers have utilized computational modeling and high-throughput screening to identify derivatives with enhanced binding affinity to therapeutic targets. Some studies suggest that modifications at the isocyanate or chlorine positions can significantly improve pharmacokinetic profiles, including solubility and metabolic stability.

In conclusion,1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) is a multifaceted compound with broad applications across multiple industries. Its unique structural features enable diverse chemical transformations that are valuable in pharmaceutical development, polymer science, and agrochemical innovation. As research continues to uncover new synthetic pathways and functional derivatives,1,3-dichloro-5-isocyanatobenzene (CAS No. 34893-92-0) will undoubtedly remain at the forefront of chemical innovation.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:34893-92-0)3,5-二氯苯異氰酸酯
LE25925917
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:34893-92-0)3,5-dichlorophenyl isocyanate
sfd18088
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email