Cas no 745783-84-0 ((R)-(-)-3-Methyl-2-butyl isocyanate)

(R)-(-)-3-Methyl-2-butyl isocyanate is a chiral isocyanate derivative characterized by its stereospecific reactivity, making it valuable in asymmetric synthesis and the production of enantiomerically pure compounds. Its branched alkyl structure enhances steric control in reactions, particularly in the formation of ureas, carbamates, and other isocyanate-derived intermediates. The (R)-configuration ensures precise chirality transfer, which is critical for applications in pharmaceuticals, agrochemicals, and specialty materials. This compound exhibits high reactivity with nucleophiles while maintaining stability under controlled conditions. Its utility in constructing chiral scaffolds underscores its importance in fine chemical synthesis and research requiring enantioselective methodologies. Proper handling is essential due to its moisture sensitivity and potential lachrymatory effects.
(R)-(-)-3-Methyl-2-butyl isocyanate structure
745783-84-0 structure
Product Name:(R)-(-)-3-Methyl-2-butyl isocyanate
CAS No:745783-84-0
MF:C6H11NO
MW:113.157641649246
CID:93007
PubChem ID:7018273
Update Time:2025-05-28

(R)-(-)-3-Methyl-2-butyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • (R)-(-)-3-Methyl-2-butyl isocyanate
    • (2R)-2-isocyanato-3-methylbutane
    • UCSWKSXDJYECKQ-ZCFIWIBFSA-N
    • (R)-2-Isocyanato-3-methylbutane
    • AKOS025295704
    • 745783-84-0
    • DTXSID30426976
    • SCHEMBL834039
    • (R)-(-)-3-Methyl-2-butyl isocyanate, AldrichCPR
    • MDL： MFCD05664086
    • Inchi： 1S/C6H11NO/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m1/s1
    • InChI Key： UCSWKSXDJYECKQ-ZCFIWIBFSA-N
    • SMILES： O=C=N[C@H](C)C(C)C

Computed Properties

  • Exact Mass: 113.08400
  • Monoisotopic Mass: 113.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 103
  • 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: 2.7
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • Color/Form: Irritating colorless liquid
  • Density: 0.88
  • Boiling Point: 124℃
  • Flash Point: 28°(82°F)
  • Refractive Index: 1.4110
  • PSA: 29.43000
  • LogP: 1.36670
  • Sensitiveness: Moisture Sensitive
  • Solubility: Hydrolyzable

(R)-(-)-3-Methyl-2-butyl isocyanate Security Information

  • Hazardous Material transportation number：UN 2206
  • Hazard Category Code： 20/22-36/37/38-42-52-41-37/38-22
  • Safety Instruction： S23; S26; S36/37/39; S45
  • Hazardous Material Identification： Xn
  • HazardClass：6.1
  • PackingGroup：III
  • Packing Group：III
  • Hazard Level：6.1
  • Risk Phrases：R20/22; R36/37/38; R42
  • Packing Group：III
  • Safety Term：6.1

(R)-(-)-3-Methyl-2-butyl 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%

(R)-(-)-3-Methyl-2-butyl isocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB181095-1 g
(R)-(-)-3-Methyl-2-butyl isocyanate, 97%; .
 745783-84-0 97%
1g
 €85.10 2021-09-16
A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI
L20241-1g
(R)-(-)-3-Methyl-2-butyl isocyanate, 97%
 745783-84-0 97%
1g
 ￥1074.00 2023-03-02

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