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227269

Sigma-Aldrich

Benzyl isocyanate

99%

Sinonimo/i:

α-Isocyanatotoluene, (Isocyanatomethyl)benzene, 1-(Isocyanatomethyl)benzene, Phenylmethyl isocyanate

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About This Item

Formula condensata:
C6H5CH2NCO
Numero CAS:
Peso molecolare:
133.15
Beilstein:
636508
Numero CE:
Numero MDL:
Codice UNSPSC:
12352100
ID PubChem:
NACRES:
NA.22

Saggio

99%

Forma fisica

liquid

Indice di rifrazione

n20/D 1.526 (lit.)

P. eboll.

101-104 °C/33 mmHg (lit.)

Densità

1.078 g/mL at 25 °C (lit.)

Stringa SMILE

O=C=NCc1ccccc1

InChI

1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
YDNLNVZZTACNJX-UHFFFAOYSA-N

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Descrizione generale

Benzyl isocyanate inhibits the formation of benzo[a]pyrene (BP)-DNA adduct and posses chemopreventive properties.

Applicazioni

Benzyl isocyanate was used to investigate the kinetics of isocyanate derivatization reaction in a continuous flow glass microfluidics chip. It was also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex (674699).

Pittogrammi

Flame

Avvertenze

Warning

Indicazioni di pericolo

Classi di pericolo

Flam. Liq. 3

Codice della classe di stoccaggio

3 - Flammable liquids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

113.0 °F - closed cup

Punto d’infiammabilità (°C)

45 °C - closed cup

Dispositivi di protezione individuale

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


Certificati d'analisi (COA)

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The reaction of propyl isocyanate (2), benzyl isocyanate (3), and toluene-2,4-diisocyanate (4) with 4-nitro-7-piperazino-2,1,3-benzoxadiazole (1) to yield the corresponding urea derivatives 5 was carried out in a continuous flow glass microfluidics chip. Real-time monitoring of the derivatization reactions was done
Tamara L Church et al.
Journal of the American Chemical Society, 129(26), 8156-8162 (2007-06-15)
The use of mechanistic information to develop a new, catalytic multicomponent reaction is described. The complex [(salph)Al(THF)2]+[Co(CO)4]- (1, salph = N,N'-o-phenylenebis(3,5-di-tert-butylsalicylideneimine), THF = tetrahydrofuran), which is known to carbonylate epoxides, aziridines, and beta-lactones, was used to catalyze the synthesis of
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