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About This Item
Empirical Formula (Hill Notation):
C5H8NO3Br
CAS Number:
Molecular Weight:
210.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
85%
Form:
solid
InChI
1S/C5H7NO3.BrH/c7-3-1-4(5(8)9)6-2-3;/h4,6H,1-2H2,(H,8,9);1H/t4-;/m0./s1
SMILES string
Br.OC(=O)[C@@H]1CC(=O)CN1
InChI key
SFSROLZHCPCODJ-WCCKRBBISA-N
assay
85%
form
solid
optical activity
[α]22/D −32.0°, c = 0.5 in methanol
mp
134-140 °C
functional group
carboxylic acid, ketone
storage temp.
2-8°C
Quality Level
Related Categories
Application
4-Oxo-L-proline, a proline derivative, can be used as a site-specific infrared probe, since its C=O stretching vibration is sensitive to the surrounding environment.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Rachel M Abaskharon et al.
The journal of physical chemistry. B, 123(24), 5079-5085 (2019-05-29)
Due to its unique structure, proline plays important structural and functional roles in proteins. However, this special amino acid lacks an adequate vibrational mode that can be exploited to probe its local electrostatic and hydration status via infrared spectroscopy. Herein
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