Cas no 40397-98-6 (2-isocyanato-1,4-dimethylbenzene)

2-isocyanato-1,4-dimethylbenzene structure
40397-98-6 structure
Product Name:2-isocyanato-1,4-dimethylbenzene
CAS No:40397-98-6
MF:C9H9NO
MW:147.173862218857
MDL:MFCD00013854
CID:89425
PubChem ID:24871539
Update Time:2025-09-26

2-isocyanato-1,4-dimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2,5-dimethylphenyl isocyanate
    • 2,5-Isocyanatoxylene
    • 2-Isocyanato-1,4-dimethylbenzene
    • 2,4-DINITRO-1,3-BENZENE DIOL
    • 2,5-dimethylbenzenisocyanate
    • 2,5-dimethyl-phenyl isocyanate
    • 2,6-dimethylphenylisocyanate
    • 2-isocyanato-1,4-dimethyl-benzene
    • AKOS000191959
    • 40397-98-6
    • 1-isocyanato-2,5-dimethyl-benzene
    • 2,5-Dimethylphenyl isocyanate, 98%
    • Q27127075
    • FT-0610497
    • SOXVXJQIQVOCAY-UHFFFAOYSA-N
    • 2,5-dimethylphenylisocyanate
    • NSC-152098
    • Benzene, 2-isocyanato-1,4-dimethyl-
    • CHEBI:60097
    • BB 0260807
    • F0001-1144
    • MFCD00013854
    • 4UPG772T8K
    • SCHEMBL31597
    • GEO-01212
    • AS-19164
    • DTXSID1068227
    • NSC 152098
    • 1-ISOCYANATO-2,5-DIMETHYLBENZENE
    • UNII-4UPG772T8K
    • NSC152098
    • W-200353
    • 2,5-dimethyl phenylisocyanate
    • DTXCID6039760
    • ALBB-007507
    • G77386
    • DB-049582
    • STK504577
    • 2-isocyanato-1,4-dimethylbenzene
    • MDL： MFCD00013854
    • Inchi： 1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
    • InChI Key： SOXVXJQIQVOCAY-UHFFFAOYSA-N
    • SMILES： O=C=NC1C=C(C)C=CC=1C
    • BRN： 1100841

Computed Properties

  • Exact Mass: 147.06800
  • Monoisotopic Mass: 147.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • 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: 3.5
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.043?g/mL?at 25?°C(lit.)
  • Boiling Point: 210?°C(lit.)
  • Flash Point: Degrees Fahrenheit:195.8°F
    Degrees Celsius:91°C
  • Refractive Index: n20/D 1.532(lit.)
  • PSA: 29.43000
  • LogP: 2.27070
  • Sensitiveness: Moisture Sensitive
  • Solubility: Soluble

2-isocyanato-1,4-dimethylbenzene Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H312-H315-H319-H332-H335
  • Warning Statement： P261-P280-P305+P351+P338
  • Hazardous Material transportation number：UN 2206 6.1/PG 3
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xn
  • HazardClass：6.1
  • PackingGroup：III
  • TSCA：Yes
  • Storage Condition：Store long-term at 2-8°C
  • Safety Term：6.1
  • Packing Group：III
  • Risk Phrases：R23/25; R36/37/38; R42
  • Packing Group：III
  • Hazard Level：6.1

2-isocyanato-1,4-dimethylbenzene Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. 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:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-isocyanato-1,4-dimethylbenzene Pricemore >>

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2-isocyanato-1,4-dimethylbenzene Production Method

2-isocyanato-1,4-dimethylbenzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:40397-98-6)2-isocyanato-1,4-dimethylbenzene
Order Number:A825090
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):543.0

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Amadis Chemical Company Limited
(CAS:40397-98-6)2-isocyanato-1,4-dimethylbenzene
A825090
Purity:99%
Quantity:25g
Price ($):543.0
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