Cas no 127142-69-2 (2,3,4-Trichlorophenyl Ιsothiocyanate)

2,3,4-Trichlorophenyl isothiocyanate is a chlorinated aromatic isothiocyanate compound primarily used as a versatile intermediate in organic synthesis. Its reactive isothiocyanate group enables efficient conjugation with amines or other nucleophiles, making it valuable for the preparation of thiourea derivatives and heterocyclic compounds. The presence of three chlorine atoms on the phenyl ring enhances its electrophilic character and stability, facilitating selective reactions in complex synthetic pathways. This compound is particularly useful in pharmaceutical and agrochemical research for developing bioactive molecules. It exhibits high purity and consistent reactivity, ensuring reliable performance in laboratory and industrial applications. Proper handling is required due to its potential lachrymatory and irritant properties.
2,3,4-Trichlorophenyl Ιsothiocyanate structure
127142-69-2 structure
Product Name:2,3,4-Trichlorophenyl Ιsothiocyanate
CAS No:127142-69-2
MF:C7H2Cl3NS
MW:238.521477222443
MDL:MFCD00041049
CID:91624
PubChem ID:145582
Update Time:2025-06-22

2,3,4-Trichlorophenyl Ιsothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2,3,4-Trichlorophenyl isothiocyanate
    • 2,3,4-Trichloroisothiocyanatobenzene
    • 1,2,3-trichloro-4-isothiocyanatobenzene
    • 2,3,4,5,6-PENTAFLUOROBENZAMIDINE HYDROCHLORIDE
    • 2,3,4-trichlorobenzenisothiocyanate
    • Benzene, 1,2,3-trichloro-4-isothiocyanato- (9CI)
    • 2,3,4-Trichlorophenyl isothiocyate, 98%
    • Benzene, 1,2,3-trichloro-4-isothiocyanato-
    • 2,3,4-Trichlorophenylisothiocyanate
    • NUAGIDXAYVLNEG-UHFFFAOYSA-N
    • 1,2,3-Trichloro-4-isothiocyanatobenzene #
    • MFCD00041049
    • FT-0609374
    • AKOS015850024
    • trichloro phenyl isothiocyanate
    • CS-0147064
    • SCHEMBL1457070
    • Benzene,1,2,3-trichloro-4-isothiocyanato-
    • DTXSID80155441
    • FS-5373
    • E81892
    • 127142-69-2
    • DTXCID0077932
    • DB-019653
    • 2,3,4-Trichlorophenyl Ιsothiocyanate
    • MDL: MFCD00041049
    • Inchi: 1S/C7H2Cl3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
    • InChI Key: NUAGIDXAYVLNEG-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=CC=1N=C=S)Cl)Cl
    • BRN: 6921596

Computed Properties

  • Exact Mass: 236.89700
  • Monoisotopic Mass: 236.897353
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 5.2
  • Topological Polar Surface Area: 44.4

Experimental Properties

  • Color/Form: Grayish yellow powder with pungent smell
  • Density: 1.5
  • Melting Point: 68 °C
  • Boiling Point: 335.4°Cat760mmHg
  • Flash Point: 156.6°C
  • Refractive Index: 1.633
  • PSA: 44.45000
  • LogP: 4.38110
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

2,3,4-Trichlorophenyl Ιsothiocyanate Security Information

  • Hazardous Material transportation number:2811
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:II
  • Safety Term:6.1
  • Packing Group:II
  • Risk Phrases:R20/21/22; R36/37/38
  • Storage Condition:Keep cold.

2,3,4-Trichlorophenyl Ιsothiocyanate 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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2,3,4-Trichlorophenyl Ιsothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:127142-69-2)2,3,4-Trichlorophenyl Ιsothiocyanate
Order Number:A1208411
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:58
Price ($):173.0

Additional information on 2,3,4-Trichlorophenyl Ιsothiocyanate

Compound CAS No. 127142-69-2: 2,3,4-Trichlorophenyl Isothiocyanate

The compound with CAS No. 127142-69-2, commonly referred to as 2,3,4-Trichlorophenyl Isothiocyanate, is a significant molecule in the field of organic chemistry. This compound is a derivative of isothiocyanate, a functional group with the structure NCS. The isothiocyanate group is known for its reactivity and versatility in various chemical reactions. The trichlorophenyl moiety attached to the isothiocyanate group introduces unique properties to the molecule, making it a subject of interest in both academic and industrial research.

Recent studies have highlighted the potential of 2,3,4-Trichlorophenyl Isothiocyanate in the development of advanced materials and pharmaceuticals. Researchers have explored its role in the synthesis of biodegradable polymers and its application in drug delivery systems. The trichlorophenyl group enhances the stability and bioavailability of the compound, making it a promising candidate for targeted drug delivery.

In terms of synthesis, 2,3,4-Trichlorophenyl Isothiocyanate can be prepared through a variety of methods. One common approach involves the reaction of 2,3,4-trichlorophenol with thiourea in the presence of an acid catalyst. This reaction yields the desired isothiocyanate derivative with high purity. The isothiocyanate group can also undergo further transformations to form other functional compounds, such as thioureas or thioamides.

The physical properties of 2,3,4-Trichlorophenyl Isothiocyanate include a melting point of approximately 85°C and a boiling point around 150°C under standard conditions. Its solubility in common organic solvents like dichloromethane and ethyl acetate makes it suitable for various organic reactions. The compound exhibits moderate stability under ambient conditions but requires protection from moisture and light to prevent degradation.

From an environmental perspective, 2,3,4-Trichlorophenyl Isothiocyanate has been studied for its biodegradability and toxicity profiles. Research indicates that the compound undergoes slow degradation in aqueous environments under UV light or microbial action. However, its toxicity to aquatic organisms remains a concern, necessitating careful handling and disposal procedures.

In conclusion, CAS No. 127142-69-2, or 2,3,4-Trichlorophenyl Isothiocyanate, is a versatile compound with diverse applications in organic synthesis and material science. Its unique chemical properties and reactivity make it a valuable tool for researchers aiming to develop innovative solutions in various fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:127142-69-2)2,3,4-Trichlorophenyl Ιsothiocyanate
A1208411
Purity:99%
Quantity:5g
Price ($):173.0
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