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关于此项目
线性分子式:
BrC6H3(I)CO2H
化学文摘社编号:
分子量:
326.91
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
Quality Segment
assay
97%
form
solid
mp
219-221 °C (lit.)
functional group
bromo, carboxylic acid, iodo
SMILES string
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 key
MKJBJYCBKXPQSY-UHFFFAOYSA-N
General description
3-Bromo-5-iodobenzoic acid (BrIBA) is a halogen substituted carboxylic acid.
Application
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
