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About This Item
Linear Formula:
CH3C6H4CH(CH3)CO2H
CAS Number:
Molecular Weight:
164.20
PubChem Substance ID:
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
2251315
MDL number:
Quality Level
API family
ibuprofen
assay
≥98.0% (HPLC)
shelf life
limited shelf life, expiry date on the label
impurities
≤0.5% water
mp
37-42 °C (lit.)
application(s)
pharmaceutical (small molecule)
format
neat
SMILES string
CC(C(O)=O)c1ccc(C)cc1
InChI
1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChI key
KDYOFXPLHVSIHS-UHFFFAOYSA-N
hcodes
signalword
Warning
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
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
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