Cas no 19241-35-1 (3-Chloro-2-methylphenyl isothiocyanate)

3-Chloro-2-methylphenyl isothiocyanate is a specialized organic compound featuring an isothiocyanate functional group attached to a chlorinated and methyl-substituted phenyl ring. This structure imparts reactivity suitable for applications in organic synthesis, particularly in the preparation of thiourea derivatives and heterocyclic compounds. Its chloro and methyl substituents enhance steric and electronic properties, making it valuable in the development of agrochemicals, pharmaceuticals, and materials science. The compound exhibits stability under standard conditions, ensuring consistent performance in reactions. Its purity and well-defined molecular structure make it a reliable reagent for researchers requiring precise functionalization in synthetic pathways.
3-Chloro-2-methylphenyl isothiocyanate structure
19241-35-1 structure
Product Name:3-Chloro-2-methylphenyl isothiocyanate
CAS No:19241-35-1
MF:C8H6ClNS
MW:183.657939434052
MDL:MFCD00022056
CID:178549
PubChem ID:140504
Update Time:2025-06-11

3-Chloro-2-methylphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-3-isothiocyanato-2-methylbenzene
    • 3-Chloro-2-methylphenyl isothiocyanate
    • Benzene,1-chloro-3-isothiocyanato-2-methyl-
    • 1-chloro-3-isothiocyanato-2-methyl-benzene
    • 3-Chlor-2-methyl-phenylisothiocyanat
    • 3-chloro-2-methylbenzenisothiocyanate
    • Isothiocyanic acid,3-chloro-o-tolyl ester
    • 3-Chloro-o-tolyl ester Isothiocyanic acid
    • 3-Chloro-o-tolyl ester Isothiocyanic acid,3-Chloro-2-methylphenyl isothiocyanate
    • AKOS BBS-00000579
    • 3-Chloro-2-methylphenyl isothiocyate, 98%
    • 3-Chloro-2-methylphenyl isothiocyanate ,97%
    • 3-Chloro-2-methylphenyl isothiocyanate ,93%
    • Benzene, 1-chloro-3-isothiocyanato-2-methyl-
    • ZXEZATIRZLJXFU-UHFFFAOYSA-N
    • SCHEMBL945215
    • FT-0615357
    • NSC-134676
    • DTXSID40172831
    • SY063176
    • NSC 134676
    • F0001-0327
    • 19241-35-1
    • 3-Chloro-2-methylphenylisothiocyanate
    • J-802111
    • EN300-01230
    • MFCD00022056
    • BP-10967
    • Z57039590
    • AKOS000268591
    • 3-chloro-2-methylphenyl-isothiocyanate
    • BS-21985
    • NSC134676
    • A813572
    • Isothiocyanic acid, 3-chloro-o-tolyl ester
    • DB-044797
    • G72200
    • MDL： MFCD00022056
    • Inchi： 1S/C8H6ClNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
    • InChI Key： ZXEZATIRZLJXFU-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1C)N=C=S

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: 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
  • Topological Polar Surface Area: 44.4A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.3

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.18
  • Boiling Point: 290.6 °C at 760 mmHg
  • Flash Point: 129.6 °C
  • Refractive Index: 1.583
  • PSA: 44.45000
  • LogP: 3.38270
  • Solubility: Uncertain

3-Chloro-2-methylphenyl isothiocyanate Security Information

  • Hazardous Material transportation number：UN2810
  • WGK Germany：1
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26-S36-S37/39
  • RTECS：JR2450000
  • Hazardous Material Identification： Xn
  • Risk Phrases：R20/21/22; R36/37/38
  • Safety Term：S26;S36/37/39

3-Chloro-2-methylphenyl 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%

3-Chloro-2-methylphenyl isothiocyanate Pricemore >>

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