Cas no 1539-20-4 (2,3-Dimethylphenyl isothiocyanate)

2,3-Dimethylphenyl isothiocyanate structure
1539-20-4 structure
Product Name:2,3-Dimethylphenyl isothiocyanate
CAS No:1539-20-4
MF:C9H9NS
MW:163.239460706711
MDL:MFCD00041064
CID:229050
PubChem ID:137068
Update Time:2025-09-20

2,3-Dimethylphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-isothiocyanato-2,3-dimethyl-
    • 1-isothiocyanato-2,3-dimethylbenzene
    • AKOS B016334
    • ART-CHEM-BB B016334
    • 2,3-Dimethylisothiocyanatobenzene
    • 2,3-DIMETHYLPHENYL ISOTHIOCYANATE
    • AKOS BBS-00004435
    • 2,3-Dimethylphenyl isothiocyate, 99%
    • 2,3-dimethylphenyl-isothiocyanate
    • 2,3-dimethyl-phenyl isothiocyanate
    • FT-0609722
    • F1915-0006
    • 2,3-Xylyl isothiocyanate
    • DTXSID50165476
    • A809477
    • SCHEMBL944313
    • SY062515
    • MFCD00041064
    • 2,3-Dimethylphenylisothiocyanate
    • 1539-20-4
    • AKOS000268959
    • HMS1721H11
    • BS-42373
    • J-802052
    • dimethylphenyl isothio cyanate
    • EN300-01225
    • 1-Isothiocyanato-2,3-dimethylbenzene #
    • Z56951196
    • G77560
    • STK397850
    • DTXCID8087967
    • DB-019791
    • 2,3-Dimethylphenyl isothiocyanate
    • MDL： MFCD00041064
    • Inchi： 1S/C9H9NS/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
    • InChI Key： VASTZUGVKHOFPE-UHFFFAOYSA-N
    • SMILES： S=C=NC1=CC=CC(C)=C1C

Computed Properties

  • Exact Mass: 163.04600
  • Monoisotopic Mass: 163.04557046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 4.1
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.08
  • Boiling Point: 128 °C
  • PSA: 44.45000
  • LogP: 3.03770
  • Solubility: Not determined

2,3-Dimethylphenyl isothiocyanate Security Information

  • Hazard Category Code： 36
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi C
  • HazardClass：IRRITANT, CORROSIVE

2,3-Dimethylphenyl 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%

2,3-Dimethylphenyl isothiocyanate Pricemore >>

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abcr
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2,3-Dimethylphenyl isothiocyanate Related Literature

  • 1. Functionalized amino acid complexation to a cobalt(III) complex of (2R,5R,8R,11R)-2,5,8,11-tetraethyl-1,4,7,10-tetra-azacyclododecane. Crystal structures of complexes containing (R)- or (S)-serine and (R)-α-methylserine, and release of amino acid from the complexes
    Sei Tsuboyama,Shigeru Miki,Tamiko Chijimatsu,Kaoru Tsuboyama,Tosio Sakurai J. Chem. Soc. Dalton Trans. 1989 2359

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