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408085

Sigma-Aldrich

3-溴-5-碘苯甲酸

97%

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About This Item

线性分子式:
BrC6H3(I)CO2H
CAS号:
188815-32-9
分子量:
326.91
MDL號碼:
MFCD00191851
分類程式碼代碼:
12352100
PubChem物質ID:
24865503
NACRES:
NA.22

品質等級

100

化驗

97%

形狀

solid

mp

219-221 °C (lit.)

官能基

bromo
carboxylic acid
iodo

SMILES 字串

OC(=O)c1cc(Br)cc(I)c1

InChI

1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

InChI 密鑰

MKJBJYCBKXPQSY-UHFFFAOYSA-N

相关类别

一般說明

3-Bromo-5-iodobenzoic acid (BrIBA) is a halogen substituted carboxylic acid.

應用

3-Bromo-5-iodobenzoic acid may be used in the preparation of the following:
  • Phenyl(3-bromo-5-iodo)benzoate.
  • As starting reagent for the large-scale synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido)ethyl]-5-(4-fluorobenzyl)phenyl}propionic acid, via regioselective Heck cross-coupling reaction.
  • Methyl 3-bromo-5-iodobenzoate.
  • 3-Bromo-5-(triisopropylsilylethynyl)benzoic acid, via Sonogashira coupling reaction.
  • Trifluoroacetophenone.

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險聲明

H315,H319,H335

危險分類

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

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分析证书(COA)

Lot/Batch Number
MKBW1493V
1430236V
MKBT2477V
MKBL7778V
MKBD7611

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Synthesis of acetylene-functionalized [2]rotaxane monomers directed toward side chain-type polyrotaxanes.
Nakazono K, et al.
Polymer Journal, 42(3), 208-215 (2010)
A scalable synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido) ethyl]-5-(4-fluorobenzyl) phenyl} propionic acid via a regioselective Heck cross-coupling strategy.
Waite DC and Mason CP.
Organic Process Research & Development, 2(2), 116-120 (1998)
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Bioorganic & medicinal chemistry, 8(9), 2375-2383 (2000-10-12)
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