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About This Item
Empirical Formula (Hill Notation):
C5H4BrClN2
CAS Number:
Molecular Weight:
207.46
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C5H4BrClN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
SMILES string
Nc1cc(Br)cnc1Cl
InChI key
ZSEZSALOLWCCGT-UHFFFAOYSA-N
assay
97%
form
solid
mp
128-132 °C
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Zhixu Zhou et al.
Molecules (Basel, Switzerland), 20(11), 20926-20938 (2015-11-28)
Pyridinesulfonamide is an important fragment which has a wide range of applications in novel drugs. R- and S-isomers of 5-bromo-2-chloro-N-(1-phenylethyl)pyridine-3-sulfonamide have been synthesized, and the stereostructures have been researched. Single crystals of both compounds were obtained for X-ray analysis, and
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