Cas no 745783-78-2 ((S)-(+)-2-Hexyl isocyanate)

(S)-(+)-2-Hexyl isocyanate structure
(S)-(+)-2-Hexyl isocyanate structure
Product Name:(S)-(+)-2-Hexyl isocyanate
CAS No:745783-78-2
MF:C7H13NO
MW:127.184221982956
CID:93006
PubChem ID:7018268
Update Time:2025-04-18

(S)-(+)-2-Hexyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • (S)-(+)-2-Hexyl isocyanate
    • (2S)-2-isocyanatohexane;
    • (2S)-2-ISOCYANATOHEXANE
    • SCHEMBL15034704
    • DTXSID50426973
    • 745783-78-2
    • AKOS025295703
    • MDL： MFCD05664080
    • Inchi： 1S/C7H13NO/c1-3-4-5-7(2)8-6-9/h7H,3-5H2,1-2H3/t7-/m0/s1
    • InChI Key： JNWLFMYCGXLVJQ-ZETCQYMHSA-N
    • SMILES： O=C=N[C@@H](C)CCCC
    • BRN： 8253640

Computed Properties

  • Exact Mass: 127.10000
  • Monoisotopic Mass: 127.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • Color/Form: Irritating colorless liquid
  • Density: 0.87
  • Boiling Point: 155.2°C at 760 mmHg
  • Flash Point: 46.4°C
  • Refractive Index: 1.4180
  • PSA: 29.43000
  • LogP: 1.90090
  • Sensitiveness: Moisture Sensitive
  • Solubility: Hydrolyzable

(S)-(+)-2-Hexyl isocyanate Security Information

  • Hazardous Material transportation number：UN 2206
  • Hazard Category Code： 20/22-36/37/38-42
  • Safety Instruction： S23; S26; S36/37/39; S45
  • Packing Group：III
  • Hazard Level：6.1
  • HazardClass：6.1
  • PackingGroup：III
  • Risk Phrases：R20/22; R36/37/38; R42
  • Packing Group：III
  • Safety Term：6.1

(S)-(+)-2-Hexyl isocyanate 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%

(S)-(+)-2-Hexyl isocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI
L20235-1g
(S)-(+)-2-Hexyl isocyanate, 97%
 745783-78-2 97%
1g
 ￥2857.00 2023-03-15

(S)-(+)-2-Hexyl isocyanate Related Literature

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