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Merck

185353

Sigma-Aldrich

异氰酸苯酯

≥98%

别名:

Isocyanatobenzene, PhNCO

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About This Item

线性分子式:
C6H5NCO
CAS号:
分子量:
119.12
Beilstein:
471391
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
eCl@ss:
39031801
PubChem物質ID:
NACRES:
NA.22

蒸汽壓力

1.4 mmHg ( 20 °C)

化驗

≥98%

形狀

liquid

折射率

n20/D 1.535 (lit.)

bp

162-163 °C (lit.)

mp

−30 °C (lit.)

密度

1.096 g/mL at 25 °C (lit.)

儲存溫度

2-8°C

SMILES 字串

O=C=Nc1ccccc1

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChI 密鑰

DGTNSSLYPYDJGL-UHFFFAOYSA-N

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一般說明

Phenyl isocyanate reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer.

應用

Phenyl isocyanate (PhNCO) can undergo addition reaction with primary nitroparaffins in the presence of a tertiary alkyl amine catalyst to form sym-disubstituted urea and furoxane. It can also react with cyclohexadienones to form vicinal diamine-containing heterocycle derivatives.
Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets.

訊號詞

Danger

危險分類

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

123.8 °F - closed cup

閃點(°C)

51 °C - closed cup

個人防護裝備

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


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New Reactions of Phenyl Isocyanate and Ethyl Alcohol1.
Kogon IC.
Journal of the American Chemical Society, 78(19), 4911-4914 (1956)
The Reactions of Primary Nitroparaffins with Isocyanates1
Mukaiyama T and Hoshino T
Journal of the American Chemical Society, 82(20), 5339-5342 (1960)
DBU-Catalyzed Desymmetrization of Cyclohexadienones: Access to Vicinal Diamine-Containing Heterocycles
Jin H, et al.
Organic Letters, 20(16), 5006-5009 (2018)
Synthesis and exfoliation of isocyanate-treated graphene oxide nanoplatelets.
Stankovich S, et al.
Carbon, 44(15), 3342-3347 (2006)
L O Rosik et al.
Bioconjugate chemistry, 1(4), 251-256 (1990-07-01)
Daunorubicin (DNR) or doxorubicin (DOX) was modified with one of four "linker reagents" to produce electrophilic drug analogues for synthesis of bioconjugates. Synthesis and characterization of two new reagents [p-isothiocyanatobenzoyl chloride and 3-(p-isothiocyanatophenyl) propionyl chloride] are described here for the

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