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167215

Sigma-Aldrich

3-溴甲苯

98%

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About This Item

線性公式:
CH3C6H4Br
CAS號碼:
591-17-3
分子量：:
171.03
Beilstein:
1903633
EC號碼:
209-702-3
MDL號碼:
MFCD00000085
分類程式碼代碼:
12352100
eCl@ss:
39060138
PubChem物質ID:
24850201
NACRES:
NA.22

化驗

98%

形狀

liquid

折射率

n20/D 1.552 (lit.)

bp

183.7 °C (lit.)

mp

−40 °C (lit.)

密度

1.41 g/mL at 25 °C (lit.)

SMILES 字串

Cc1cccc(Br)c1

InChI

1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChI 密鑰

WJIFKOVZNJTSGO-UHFFFAOYSA-N

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相關類別

一般說明

3-溴甲苯是一种富含电子的芳基溴。它可参与Heck反应。 3-溴甲苯在K4[Fe（CN）6]（作为氰化物的替代物）的存在下可发生钯催化的氰化反应。 它可与炔基三芳基硼酸酯进行钯催化反应，生成三取代的烯基硼烷。

應用

3-溴甲苯被用于通过MC-ICPMS（多收集器-电感耦合等离子体质谱仪）精确测定有机化合物中的溴同位素比。

象形圖

FlameSkull and crossbones
GHS02,GHS06

訊號詞

Danger

危險分類

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - 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 3

閃點（°F）

140.0 °F

閃點（°C）

60 °C

個人防護裝備

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

分析證明 (COA)

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Heck reaction with an alkenylidenecyclopropane: the formation of arylallylidenecyclopropanes.
Fall Y, et al.
Tetrahedron Letters, 48(20), 3579-3581 (2007)
Efficient cyanation of aryl bromides with K4[Fe(CN)6] catalyzed by a palladium-indolylphosphine complex.
Yeung PY, et al.
Tetrahedron Letters, 52(52), 7038-7041 (2011)
Naoki Ishida et al.
Chemical communications (Cambridge, England), (42)(42), 4381-4383 (2007-10-25)
The palladium-catalysed reaction of alkynyltriarylborates with aryl halides afforded trisubstituted alkenylboranes, in which two different aryl groups were installed across the carbon-carbon double bond in a cis arrangement.
High precision determination of bromine isotope ratio by GC-MC-ICPMS.
Gelman F and Halicz L.
International Journal of Mass Spectrometry, 289(2), 167-169 (2010)
Naoyuki Yasaka et al.
Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 34(10), 1183-1188 (2018-10-12)
Aryl halides are a very important category of compounds that include many vital drugs and key industrial additives, such as clofibrate and bromobenzene, respectively. Due to their importance, our research group previously developed a novel fluorescence labeling approach for their

文章

Heck Reaction

The Heck reaction is the palladium catalyzed cross-coupling reaction between alkenes and aryl or vinyl halides (or triflates) to afford substituted alkenes.

Heck Reaction

The Heck reaction is the palladium catalyzed cross-coupling reaction between alkenes and aryl or vinyl halides (or triflates) to afford substituted alkenes.

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