Cas no 18967-44-7 (2-Chlorobenzyl isothiocyanate)

2-Chlorobenzyl isothiocyanate is a versatile organic compound characterized by the presence of an isothiocyanate functional group attached to a 2-chlorobenzyl moiety. This reagent is commonly employed in organic synthesis, particularly in the preparation of thiourea derivatives and heterocyclic compounds, due to its high reactivity with amines and nucleophiles. Its chlorinated aromatic ring enhances electrophilic properties, facilitating selective reactions in medicinal chemistry and agrochemical research. The compound is stable under standard conditions, making it suitable for controlled synthetic applications. Its utility extends to biochemical studies, where it serves as a key intermediate in the development of bioactive molecules and pharmaceutical agents.
2-Chlorobenzyl isothiocyanate structure
2-Chlorobenzyl isothiocyanate structure
Product Name:2-Chlorobenzyl isothiocyanate
CAS No:18967-44-7
MF:C8H6ClNS
MW:183.657939434052
MDL:MFCD00041110
CID:88024
PubChem ID:29351
Update Time:2025-06-07

2-Chlorobenzyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2-Chlorobenzyl isothiocyanate
    • 1-chloro-2-isothiocyanatomethyl-benzene
    • 2-Chlor-benzylisothiocyanat
    • ISOTHIOCYANIC ACID,o-CHLOROBENZYL ESTER
    • o-chlorobenzyl isothiocyanate
    • FLC 2-Chlorobenzyl Isothiocyanate
    • 1-Chloro-2-(isothiocyanatomethyl)benzene
    • 2-Chlorobenzyl thiocyate, 98%
    • 2-Chlorobenzyl isothiocyate, 98%
    • isothiocyanicacid,o-chlorobenzylester
    • Isothiocyanic acid, o-chlorobenzyl ester
    • NSC221237
    • MFCD00041110
    • DTXSID30172380
    • Benzene,1-chloro-2-(isothiocyanatomethyl)-
    • A813345
    • UNII-8JLA99K9EB
    • FT-0611926
    • NSC 221237
    • WLN: SCN1R BG
    • AKOS000212500
    • 8JLA99K9EB
    • 18967-44-7
    • NSC-221237
    • BRN 2936688
    • EN300-1263629
    • 1-Chloro-2-(isothiocyanatomethyl)benzene #
    • BS-42161
    • Benzene, 1-chloro-2-(isothiocyanatomethyl)-
    • 1-chloranyl-2-(isothiocyanatomethyl)benzene
    • SCHEMBL1457250
    • DB-020921
    • 2-Chlorobenzylisothiocyanate
    • MDL： MFCD00041110
    • Inchi： 1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
    • InChI Key： RMVDNJDSLXQPAV-UHFFFAOYSA-N
    • SMILES： ClC1C=CC=CC=1CN=C=S
    • BRN： 2936688

Computed Properties

  • Exact Mass: 182.99100
  • Monoisotopic Mass: 182.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 166
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 12.4

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1,26 g/cm3
  • Boiling Point: 138 °C
  • Flash Point: 137-138°C/6mm
  • Refractive Index: 1.6140
  • Water Partition Coefficient: It hydrolyzes in water.
  • PSA: 44.45000
  • LogP: 2.94280
  • Sensitiveness: Moisture Sensitive
  • Solubility: Uncertain

2-Chlorobenzyl isothiocyanate Security Information

  • Hazardous Material transportation number：2810
  • Safety Instruction： S26-S36/37/39
  • RTECS：NX8460000
  • Hazardous Material Identification： T
  • HazardClass：6.1
  • PackingGroup：II
  • Safety Term：6.1
  • Packing Group：II
  • Risk Phrases：R20/21/22; R36/37/38

2-Chlorobenzyl isothiocyanate 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-Chlorobenzyl isothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:18967-44-7)2-Chlorobenzyl isothiocyanate
Order Number:A813345
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:07
Price ($):182.0

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Amadis Chemical Company Limited
(CAS:18967-44-7)2-Chlorobenzyl isothiocyanate
A813345
Purity:99%
Quantity:5g
Price ($):182.0
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