Cas no 28115-85-7 (2-Methylbenzoyl isothiocyanate)

2-Methylbenzoyl isothiocyanate structure
28115-85-7 structure
Product Name:2-Methylbenzoyl isothiocyanate
CAS No:28115-85-7
MF:C9H7NOS
MW:177.222980737686
MDL:MFCD00060377
CID:266381
PubChem ID:141396
Update Time:2025-04-19

2-Methylbenzoyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzoyl isothiocyanate,2-methyl-
    • 2-Methylbenzoyl isothiocyanate
    • BP-10131
    • DTXSID00182390
    • AKOS005202601
    • 2-methyl-1-benzenecarbonyl isothiocyanate
    • 28115-85-7
    • SCHEMBL1135687
    • MFCD00060377
    • A819325
    • J-016973
    • FT-0638758
    • 2-methylbenzoylisothiocyanate
    • L-Lysineacetate
    • FS-4483
    • DTXCID10104881
    • DB-021375
    • MDL： MFCD00060377
    • Inchi： 1S/C9H7NOS/c1-7-4-2-3-5-8(7)9(11)10-6-12/h2-5H,1H3
    • InChI Key： RBNGRYSMNUHYCW-UHFFFAOYSA-N
    • SMILES： S=C=NC(C1C=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 177.02500
  • Monoisotopic Mass: 177.024835
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 221
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 61.5

Experimental Properties

  • Density: 1.18
  • Boiling Point: 148 °C
  • Flash Point: 124.4°C
  • Refractive Index: 1.576
  • PSA: 61.52000
  • LogP: 2.23800

2-Methylbenzoyl isothiocyanate Security Information

  • Hazardous Material transportation number：UN 2810
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26; S36/37/39
  • HazardClass：IRRITANT-HARMFUL
  • Risk Phrases：R20/21/22; R36/37/38

2-Methylbenzoyl 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-Methylbenzoyl isothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:28115-85-7)2-Methylbenzoyl isothiocyanate
Order Number:A819325
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:09
Price ($):535.0

2-Methylbenzoyl isothiocyanate Related Literature

28115-85-7 (2-Methylbenzoyl isothiocyanate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:28115-85-7)2-Methylbenzoyl isothiocyanate
A819325
Purity:99%
Quantity:25g
Price ($):535.0
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