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487406

Sigma-Aldrich

4-Methoxybenzyl isocyanate

98%

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About This Item

Fórmula lineal:
CH3OC6H4CH2NCO
Número de CAS:
56651-60-6
Peso molecular:
163.17
MDL number:
MFCD00673064
UNSPSC Code:
12352100
PubChem Substance ID:
24872270
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.433 (lit.)

bp

60-66 °C/0.6 mmHg (lit.)

density

1.143 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

COc1ccc(CN=C=O)cc1

InChI

1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3

InChI key

QRBHVARIMDDOOV-UHFFFAOYSA-N

General description

4-Methoxybenzyl isocyanate (PMBNCO), also known as p-methoxybenzyl isocyanate, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.

Application

4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2-[(4-nitrophenyl)amino]ethyl}urea and 1-(4-methoxybenzyl)-3-{2-[(5-nitropyridin-2-yl)amino]ethyl} urea.
It may be used in the multi-step synthesis of:
  • diimidazodiazepine containing 5:7:5-fused heterocycle
  • 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
  • bicyclic guanidine core of batzelladine A

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Fenilo isocianato ≥98%

Sigma-Aldrich

185353

Fenilo isocianato

Michael A Arnold et al.
Journal of the American Chemical Society, 128(40), 13255-13260 (2006-10-05)
A diastereoselective [4 + 2]-annulation of vinyl carbodiimides with chiral N-alkyl imines has been developed to access the stereochemically rich polycyclic guanidine cores of the batzelladine alkaloids. Application of this strategy, together with additional key steps such as long-range directed
Synthesis and herbicidal activity of opened hydantoin-ring derivatives of hydantocidin.
Hiromi S, et al.
Bioscience, Biotechnology, and Biochemistry, 60(7), 1198-1200 (1996)
Raj Kumar et al.
Organic letters, 10(20), 4681-4684 (2008-09-26)
The first synthesis of a novel 5:7:5-fused heterocyclic ring system, a diimidazodiazepine, is reported. The propensity of the ring system to undergo facile, acid-catalyzed nucleophilic addition reactions by neutral carbon and nitrogen nucleophiles has been explored. The ring system has
Tomasz M Wróbel et al.
Journal of enzyme inhibition and medicinal chemistry, 31(4), 608-618 (2015-06-27)
A series of urea derivatives bearing nitroaryl moiety has been synthesized and assayed for their potential antiproliferative activities. Some of the tested compounds displayed activity in RK33 laryngeal cancer cells and TE671 rhabdomyosarcoma cells while being generally less toxic to
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 567-567 (2014)

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