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About This Item
Empirical Formula (Hill Notation):
C5H5NO2
CAS Number:
Molecular Weight:
111.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-221-9
Beilstein/REAXYS Number:
80825
MDL number:
Assay:
99%
Form:
powder
Quality Segment
assay
99%
form
powder
mp
204-208 °C (dec.) (lit.)
SMILES string
OC(=O)c1ccc[nH]1
InChI
1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChI key
WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Application
Employed in the synthesis of cholecystokinin antagonists, benzopyran antihypertensives, and azepinediones.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - 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
ppe
dust mask type N95 (US), Eyeshields, Gloves
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