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Sigma-Aldrich

Benzyl isocyanate

99%

Sinônimo(s):

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

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About This Item

Fórmula linear:
C6H5CH2NCO
Número CAS:
3173-56-6
Peso molecular:
133.15
Beilstein:
636508
Número CE:
221-640-9
Número MDL:
MFCD00009701
Código UNSPSC:
12352100
ID de substância PubChem:
24853269
NACRES:
NA.22
Formulário:
liquid
Ensaio:
99%

Nível de qualidade

100

Ensaio

99%

Formulário

liquid

índice de refração

n20/D 1.526 (lit.)

p.e.

101-104 °C/33 mmHg (lit.)

densidade

1.078 g/mL at 25 °C (lit.)

grupo funcional

amine
isocyanate
phenyl

cadeia de caracteres SMILES

O=C=NCc1ccccc1

InChI

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

chave InChI

YDNLNVZZTACNJX-UHFFFAOYSA-N

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Descrição geral

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

Aplicação

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).

Pictogramas

Flame
GHS02

Palavra indicadora

Warning

Frases de perigo

H226

Declarações de precaução

P210 - P233 - P240 - P241 - P242 - P243

Classificações de perigo

Flam. Liq. 3

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

113.0 °F - closed cup

Ponto de fulgor (°C)

45 °C - closed cup

Equipamento de proteção individual

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

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Certificados de análise (COA)

Lot/Batch Number
MKCX2317
MKCV2879
MKCQ8569
MKCQ1550
MKCH1091

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Sigma-Aldrich

389951

Pentyl isocyanate

Monica Brivio et al.
Analytical chemistry, 77(21), 6852-6856 (2005-11-01)
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
W A Smith et al.
Mutation research, 425(1), 143-152 (1999-03-20)
The large (>2000) and expanding number of natural and synthetic agents with potential cancer chemopreventive properties renders it economically and physically impossible to test each of these agents for their efficacy in the widely accepted 2-year animal bioassay and clinical
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
Eliana Esparza et al.
Phytochemistry, 179, 112502-112502 (2020-09-02)
Postharvest processing of maca (Lepidium meyenii Walp., Brassicaceae), a traditional high-altitude Andean root crop, involves slow field drying prior to milling into flour. The progressive tissue dehydration and release of hydrolytic enzymes and substrates from cellular compartments results in the
Liang Li et al.
Analytical and bioanalytical chemistry, 411(21), 5465-5479 (2019-06-10)
A benzylureido-β-cyclodextrin was synthesized by the reaction of 6-amino-β-cyclodextrin with an active benzyl isocyanate. Then, it was bonded to silica gel by a thiol-ene addition reaction, obtaining a new benzylureido-β-cyclodextrin-based chiral stationary phase (BzCDP). Its chemical structure was characterized by
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