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487406

Sigma-Aldrich

4-甲氧苄基异氰酸酯

98%

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About This Item

線性公式:
CH3OC6H4CH2NCO
CAS號碼:
56651-60-6
分子量：:
163.17
MDL號碼:
MFCD00673064
分類程式碼代碼:
12352100
PubChem物質ID:
24872270
NACRES:
NA.22
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化驗

98%

折射率

n20/D 1.433 (lit.)

bp

60-66 °C/0.6 mmHg (lit.)

密度

1.143 g/mL at 25 °C (lit.)

官能基

amine
isocyanate

儲存溫度

2-8°C

SMILES 字串

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 密鑰

QRBHVARIMDDOOV-UHFFFAOYSA-N

相關類別

一般說明

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.[1]

應用

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.[2]
It may be used in the multi-step synthesis of:
  • diimidazodiazepine containing 5:7:5-fused heterocycle[3]
  • 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide[4]
  • bicyclic guanidine core of batzelladine A[5]

象形圖

Health hazardExclamation mark
GHS08,GHS07

訊號詞

Danger

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

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

水污染物質分類（WGK）

WGK 3

閃點（°F）

235.4 °F - closed cup

閃點（°C）

113 °C - closed cup

個人防護裝備

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

從最近期的版本中選擇一個：

分析證明 (COA)

Lot/Batch Number
MKCX3313
MKCV4979
MKCT4619
MKCQ7880
MKCG3139

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Sigma-Aldrich

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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
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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
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
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 567-567 (2014)

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