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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-sec-Butylphenyl isocyanate - ≥97% , CAS No.480439-26-7
Synonyms
1-(butan-2-yl)-4-isocyanatobenzene | 4-sec-Butylphenyl isocyanate | SCHEMBL3842072 | DTXSID20400184 | MFCD03701601 | 1-butan-2-yl-4-isocyanatobenzene | 1-sec-butyl-4-isocyanatobenzene | STK502552 | AKOS005171083 | 4-sec-Butylphenyl isocyanate,97% | BB 025
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
1-(butan-2-yl)-4-isocyanatobenzene | 4-sec-Butylphenyl isocyanate | SCHEMBL3842072 | DTXSID20400184 | MFCD03701601 | 1-butan-2-yl-4-isocyanatobenzene | 1-sec-butyl-4-isocyanatobenzene | STK502552 | AKOS005171083 | 4-sec-Butylphenyl isocyanate, 97% | BB 025
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCC(C)C1=CC=C(C=C1)N=C=O IUPAC Name 1-butan-2-yl-4-isocyanatobenzene InChIKey SSMJMZXHYWSCET-UHFFFAOYSA-N INCHI 1S/C11H13NO/c1-3-9(2)10-4-6-11(7-5-10)12-8-13/h4-7,9H,3H2,1-2H3 Isómeros SMILES CCC(C)C1=CC=C(C=C1)N=C=O Peso molecular 175.23 Reaxy-Rn 11444888 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11444888&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Phenylpropanes Intermediate Tree Nodes Not available Direct Parent Phenylpropanes Alternative Parents Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 175.230 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 175.1 Da Monoisotopic Mass 175.1 Da Topological Polar Surface Area 29.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 188.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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