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About This Item
Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
Molecular Weight:
123.11
EC Number:
200-441-0
UNSPSC Code:
41116105
PubChem Substance ID:
Beilstein/REAXYS Number:
109591
MDL number:
assay
≥99.5% (HPLC)
form
powder
ign. residue
<0.05%
loss
≤0.2% loss on drying
color
white
mp
234-238 °C (dec.), 236-239 °C (lit.)
cation traces
Ba: ≤5 mg/kg, Ca: ≤10 mg/kg, Co: ≤5 mg/kg, Cr: ≤5 mg/kg, Cu: ≤5 mg/kg, Fe: ≤5 mg/kg, K: ≤50 mg/kg, Mg: ≤5 mg/kg, Mn: ≤5 mg/kg, Na: ≤50 mg/kg, Ni: ≤5 mg/kg, Pb: ≤5 mg/kg, Zn: ≤5 mg/kg
suitability
suitable for matrix substance for MALDI-MS
SMILES string
OC(=O)c1cccnc1
InChI
1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChI key
PVNIIMVLHYAWGP-UHFFFAOYSA-N
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
379.4 °F - closed cup
flash_point_c
193 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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