Cas no 23165-53-9 (4-Chloro-2-methyl isothiocyanate)

4-Chloro-2-methyl isothiocyanate structure
23165-53-9 structure
Product Name:4-Chloro-2-methyl isothiocyanate
CAS No:23165-53-9
MF:C8H6ClNS
MW:183.657939434052
MDL:MFCD00041089
CID:88421
PubChem ID:90021
Update Time:2025-04-18

4-Chloro-2-methyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-methylisothiocyanatobenzene
    • 4-Chloro-2-methylphenyl isothiocyanate
    • 4-chloro-1-isothiocyanato-2-methylbenzene
    • 2-methyl-4-chlorophenyl isothiocyanate
    • 3-chloro-6-isothiocyanatotoluene
    • 4-Chlor-2-methyl-phenylisothiocyanat
    • 4-Chlor-2-methyl-phenylsenfoel
    • 4-Chloro-1-Isothiocyanato-2-Methyl-Benzene
    • 4-chloro-2-methylbenzenisothiocyanate
    • Benzene,4-chloro-1-isothiocyanato-2-methyl
    • 4-Chloro-2-methyl isothiocyanate
    • WV8FP23VBE
    • MFCD00041089
    • EINECS 245-472-0
    • F0001-0808
    • Benzene, 4-chloro-1-isothiocyanato-2-methyl-
    • 4-chloranyl-1-isothiocyanato-2-methyl-benzene
    • UNII-WV8FP23VBE
    • NS00027372
    • J-802133
    • 4-chloro-2-methyl-phenyl isothiocyanate
    • 4-Chloro-1-isothiocyanato-2-methylbenzene #
    • SY062081
    • Benzene,4-chloro-1-isothiocyanato-2-methyl-
    • FT-0618035
    • 23165-53-9
    • A816606
    • DTXSID60177747
    • AKOS003352783
    • FT-0618032
    • SCHEMBL1457266
    • 4-PYRIDINEALDOXIMEO-ISOAMYLETHER
    • 4-chloro-2-methylphenyl-isothiocyanate
    • STL197579
    • 4-Chloro-2-methylphenylisothiocyanate
    • DB-046095
    • DTXCID20100238
    • MDL: MFCD00041089
    • Inchi: 1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
    • InChI Key: XTYLRVPBHHRTMS-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C)C=1)N=C=S
    • BRN: 2963683

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

Experimental Properties

  • Color/Form: Undetermined 2. density (g/ml, 25/4 ℃)
  • Density: 1.18
  • Melting Point: 33-35°C
  • Boiling Point: 88-90°C 0,4mm
  • Flash Point: 88-90°C/0.4mm
  • Refractive Index: 1.583
  • PSA: 44.45000
  • LogP: 3.38270
  • Sensitiveness: Moisture Sensitive

4-Chloro-2-methyl isothiocyanate Security Information

  • Hazardous Material transportation number:2811
  • Hazard Category Code: 23/24/25
  • Safety Instruction: S23-S26-S36/37/39-S45
  • Hazardous Material Identification: Xn
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:8
  • Safety Term:8
  • Packing Group:III
  • Risk Phrases:R20/21/22; R36/37/38

4-Chloro-2-methyl 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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