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Merck

374881

Sigma-Aldrich

异氰酸 4-氯-3-(三氟甲基)苯酯

98%

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About This Item

线性分子式:
ClC6H3(CF3)NCO
CAS号:
分子量:
221.56
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

98%

bp

86-90 °C/14 mmHg (lit.)

mp

40-42 °C (lit.)

官能基

chloro
fluoro
isocyanate

SMILES 字串

FC(F)(F)c1cc(ccc1Cl)N=C=O

InChI

1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChI 密鑰

NBJZEUQTGLSUOB-UHFFFAOYSA-N

一般說明

4-氯-3-(三氟甲基)苯基异氰酸酯是合成 5-甲基-3-芳基-2-硫代恶唑烷-4-酮的有效方法。

應用

4-氯-3-(三氟甲基)苯基异氰酸酯可用于合成:
  • N-(5′--脱氧-3′-- O --丁基二甲基硅基-β--D-胸苷-5′-基)- N′-(4-氯-3-三氟甲基苯基)-硫脲
  • 1,3-双(4-氯-α), α, α——三氟- m -甲苯基)脲 ]
  • 反式 -1-(4-氯-3-三氟甲基-苯基)-3-(4-羟基-环己基)-脲

訊號詞

Danger

危險分類

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - 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)

210.2 °F - closed cup

閃點(°C)

99 °C - closed cup

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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