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About This Item
Linear Formula:
BrCH2COOCH2C6H5
CAS Number:
Molecular Weight:
229.07
EC Number:
226-611-4
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
973658
MDL number:
InChI key
JHVLLYQQQYIWKX-UHFFFAOYSA-N
InChI
1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
SMILES string
BrCC(=O)OCc1ccccc1
grade
purum
assay
≥97.0% (GC)
refractive index
n20/D 1.544 (lit.), n20/D 1.545
bp
166-170 °C/22 mmHg (lit.)
density
1.446 g/mL at 25 °C (lit.)
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Radhe Shyam et al.
Biopolymers, 110(6), e23273-e23273 (2019-03-22)
The design of linear peptoid oligomers adopting well-defined secondary structures while mimicking defined peptide primary sequences is a major challenge in the context of drug discovery. To this end, chemists have developed cis-inducing peptoid side chains to build robust polyproline
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