Cas no 6326-14-3 ((2,4-dichlorophenyl)thiourea)

(2,4-Dichlorophenyl)thiourea is a thiourea derivative characterized by the presence of two chlorine substituents on the phenyl ring at the 2 and 4 positions. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and agrochemicals. Its reactive thiourea moiety enables participation in condensation and cyclization reactions, while the dichlorophenyl group enhances electrophilic properties, facilitating further functionalization. The compound exhibits moderate stability under standard conditions, making it suitable for controlled synthetic applications. Its structural features contribute to selective reactivity in nucleophilic substitution and coordination chemistry. Handling requires standard precautions for chlorinated aromatic compounds, including adequate ventilation and personal protective equipment.
(2,4-dichlorophenyl)thiourea structure
(2,4-dichlorophenyl)thiourea structure
Product Name:(2,4-dichlorophenyl)thiourea
CAS No:6326-14-3
MF:C7H6Cl2N2S
MW:221.106937885284
MDL:MFCD00022161
CID:85633
PubChem ID:2746442
Update Time:2025-05-21

(2,4-dichlorophenyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dichlorophenylthiourae
    • 2,4-Dichlorophenylthiourea
    • N-(2,4-Dichlorophenyl)thiourea
    • (2,4-dichlorophenyl)thiourea
    • 1-(2,4-Dichlorophenyl)thiourea
    • NSC 31189
    • 1-(2,4-Dichlorophenyl)-2-thiourea
    • (2,4-dichloro-phenyl)-thiourea
    • Thiourea, (2,4-dichlorophenyl)-
    • amino[(2,4-dichlorophenyl)amino]methane-1-thione
    • NSC31189
    • dichlorophenylthiourea
    • Maybridge1_008642
    • MLS000835021
    • KSC618G5H
    • HMS566A18
    • H
    • SMR000461637
    • NSC-31189
    • DTXSID40372612
    • MFCD00022161
    • J-502908
    • SCHEMBL653172
    • D83812
    • F8882-1177
    • FT-0610072
    • CS-0043274
    • EN300-28840
    • HMS2799L22
    • AKOS000369681
    • CHEMBL1878813
    • A834302
    • JS-194C
    • 6326-14-3
    • HSWCDFOASWNGOM-UHFFFAOYSA-N
    • STL505994
    • FD168817
    • 664-918-9
    • MDL: MFCD00022161
    • Inchi: 1S/C7H6Cl2N2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
    • InChI Key: HSWCDFOASWNGOM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1NC(N)=S)Cl
    • BRN: 2096917

Computed Properties

  • Exact Mass: 219.96300
  • Monoisotopic Mass: 219.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 177
  • 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: 3
  • XLogP3: 2.2
  • Topological Polar Surface Area: 70.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.563
  • Melting Point: 160°C
  • Boiling Point: 322 oC
  • Flash Point: 148 oC
  • Refractive Index: 1.73
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 70.14000
  • LogP: 3.42220
  • Solubility: Not determined

(2,4-dichlorophenyl)thiourea Security Information

  • Hazard Statement: Toxic
  • Hazardous Material transportation number:2811
  • Hazard Category Code: 20/22-25
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: T
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/22
  • HazardClass:6.1
  • PackingGroup:III

(2,4-dichlorophenyl)thiourea Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. 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:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on (2,4-dichlorophenyl)thiourea

Comprehensive Overview of (2,4-Dichlorophenyl)thiourea (CAS No. 6326-14-3): Properties, Applications, and Industry Insights

(2,4-Dichlorophenyl)thiourea (CAS No. 6326-14-3) is a specialized organic compound widely recognized for its unique chemical properties and versatile applications. This thiourea derivative features a dichlorophenyl group, which enhances its reactivity and utility in various industrial and research contexts. With growing interest in sulfur-containing compounds and their roles in agrochemicals, pharmaceuticals, and material science, this compound has garnered significant attention from researchers and manufacturers alike.

The molecular structure of (2,4-dichlorophenyl)thiourea combines a thiourea moiety with a 2,4-dichlorophenyl substituent, resulting in a compound that exhibits both nucleophilic and electrophilic characteristics. This duality makes it valuable in synthetic chemistry, particularly in the development of heterocyclic compounds and ligand synthesis. Recent studies highlight its potential as a building block for bioactive molecules, aligning with the rising demand for sustainable chemical intermediates in drug discovery.

In agrochemical applications, CAS 6326-14-3 has been explored as a precursor for crop protection agents, leveraging its ability to modify biological activity. The chlorine-thiourea synergy in its structure contributes to its efficacy in targeting specific plant pathogens, a topic frequently searched by agricultural researchers. Additionally, its role in polymer stabilization and corrosion inhibition has been investigated, addressing industry needs for high-performance additives.

From an environmental perspective, the degradation pathways and ecotoxicological profile of (2,4-dichlorophenyl)thiourea are critical considerations. Regulatory trends emphasize green chemistry principles, prompting innovations in its synthesis to reduce hazardous byproducts. Analytical methods such as HPLC and GC-MS are commonly employed to monitor its presence in environmental samples, reflecting the compound's relevance in environmental monitoring discussions.

The commercial availability of 6326-14-3 is supported by global suppliers catering to fine chemical and research markets. Quality standards, including purity grades and analytical certificates, are frequently queried by buyers, underscoring the importance of transparency in the supply chain. Storage recommendations typically highlight protection from moisture and light to maintain stability, a practical concern for end-users.

Emerging trends in computational chemistry have enabled predictive modeling of (2,4-dichlorophenyl)thiourea's interactions, accelerating its adoption in materials science. Researchers often search for structure-activity relationships (SAR) to optimize its performance in specific applications. Furthermore, its potential in coordination chemistry as a ligand for metal ions has opened avenues in catalysis and sensor development.

In summary, (2,4-dichlorophenyl)thiourea (CAS No. 6326-14-3) represents a multifaceted compound with expanding applications across scientific disciplines. Its integration into innovative technologies and alignment with sustainability goals ensure its continued relevance in both academic and industrial settings.

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