Cas no 19241-36-2 (5-Chloro-2-methylphenyl isothiocyanate)

5-Chloro-2-methylphenyl isothiocyanate structure
19241-36-2 structure
Product Name:5-Chloro-2-methylphenyl isothiocyanate
CAS No:19241-36-2
MF:C8H6ClNS
MW:183.657939434052
MDL:MFCD00046801
CID:88054
PubChem ID:29519
Update Time:2025-04-18

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

Names and Identifiers

    • 5-Chloro-2-methylphenyl isothiocyanate
    • 3-Chloro-6-methylisothiocyanatobenzene
    • 4-chloro-2-isothiocyanato-1-methylbenzene
    • 4-Chloro-2-Isothiocyanato-1-Methyl-Benzene
    • 5-Chlor-2-methyl-phenylisothiocyanat
    • 5-Chlor-2-methyl-phenylsenfoel
    • 5-Chloro-o-tolyl isothiocyanate
    • ISOTHIOCYANIC ACID,5-CHLORO-o-TOLYL ESTER
    • 4-Chloro-2-isothiocyanatotoluene
    • 5-chloro-o-tolylisothiocyanate
    • isothiocyanicacid,5-chloro-o-tolylester
    • 5-Chloro-2-methylphenyl isothiocyate, 98%
    • A813573
    • UNII-FJ2Z26D9ZS
    • DTXSID00172832
    • NSC134677
    • 5-chloro-2-methyl-phenyl isothiocyanate
    • SCHEMBL1021320
    • FJ2Z26D9ZS
    • E81896
    • AKOS003276009
    • 5 -chloro-2-methylphenyl-isothiocyanate
    • J-802151
    • ISOTHIOCYANIC ACID, 5-CHLORO-o-TOLYL ESTER
    • 2-Methyl-5-chlorophenyl isothiocyanate
    • Benzene, 4-chloro-2-isothiocyanato-1-methyl-
    • NSC-134677
    • 19241-36-2
    • CS-0147092
    • 5-Chloro-2-methylphenylisothiocyanate
    • 5-chloro-2-methylphenyl-isothiocyanate
    • FT-0620273
    • AS-66440
    • BRN 2717659
    • Benzene,4-chloro-2-isothiocyanato-1-methyl-
    • NSC 134677
    • MFCD00046801
    • 3-12-00-01913 (Beilstein Handbook Reference)
    • FT-0615443
    • SY061715
    • 4-chloranyl-2-isothiocyanato-1-methyl-benzene
    • 5-Chloro-2-methylphenyl isothiocyanate, 98%
    • 624-883-2
    • MDL： MFCD00046801
    • Inchi： 1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
    • InChI Key： VDBDGAPNWNWUSA-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(C)=C(C=1)N=C=S
    • BRN： 2717659

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
  • XLogP3: 4.3
  • Topological Polar Surface Area: 12.4

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.248?g/mL?at 25?°C(lit.)
  • Boiling Point: 268-272?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.646(lit.)
  • PSA: 44.45000
  • LogP: 3.38270
  • Sensitiveness: Moisture Sensitive
  • Solubility: Uncertain

5-Chloro-2-methylphenyl isothiocyanate Security Information

  • Hazardous Material transportation number：2810
  • WGK Germany：3
  • Hazard Category Code： 34
  • Safety Instruction： S26-S27-S36/37/39-S45
  • RTECS：NX8476000
  • Hazardous Material Identification： C
  • Packing Group：III
  • Hazard Level：8
  • HazardClass：8
  • PackingGroup：III
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R20/21/22; R36/37/38

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