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Sigma-Aldrich

3-氯-4-甲基苯基异氰酸酯

98%

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About This Item

線性公式:
ClC6H3(CH3)NCO
CAS號碼:
28479-22-3
分子量：:
167.59
EC號碼:
249-050-7
MDL號碼:
MFCD00013858
分類程式碼代碼:
12352100
PubChem物質ID:
24871480
NACRES:
NA.22

化驗

98%

折射率

n20/D 1.557 (lit.)

bp

107 °C/3 mmHg (lit.)

密度

1.224 g/mL at 25 °C (lit.)

儲存溫度

2-8°C

SMILES 字串

Cc1ccc(cc1Cl)N=C=O

InChI

1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3

InChI 密鑰

UKTKKMZDESVUEE-UHFFFAOYSA-N

相關類別

一般說明

3-Chloro-4-methylphenyl isocyanate, also known as 2-chloro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. It is formed during the photochemical degradation of linuron.

應用

3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds:
  • 1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-heptylurea
  • 1-(3-chloro-4-methylphenyl)-3-cyclooctylurea
  • 1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea

訊號詞

Danger

危險分類

Acute Tox. 2 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

水污染物質分類（WGK）

WGK 1

閃點（°F）

228.2 °F - closed cup

閃點（°C）

109 °C - closed cup

個人防護裝備

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

分析證明 (COA)

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Utsab Manna et al.
Dalton transactions (Cambridge, England : 2003), 46(31), 10374-10386 (2017-07-27)
A meta-phenylenediamine-based disubstituted bis-urea receptor L1 with electron-withdrawing 3-chloro and electron-donating 4-methylphenyl terminals has been established as a potential system to fix and efficiently capture atmospheric CO
Joshua R Brown et al.
Bioorganic & medicinal chemistry, 19(18), 5585-5595 (2011-08-16)
The treatment of tuberculosis is becoming more difficult due to the ever increasing prevalence of drug resistance. Thus, it is imperative that novel anti-tuberculosis agents, with unique mechanisms of action, be discovered and developed. The direct anti-tubercular testing of a

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