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About This Item
Empirical Formula (Hill Notation):
C9H7NO · 0.5H2O4S · 0.5H2O
CAS Number:
Molecular Weight:
203.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
205-137-1
MDL number:
Assay:
98%
Quality Segment
assay
98%
mp
176-179 °C (lit.)
solubility
H2O: soluble 100 mg/mL, clear to slightly hazy, yellow to orange
SMILES string
[H]O[H].OS(O)(=O)=O.Oc1cccc2cccnc12.Oc3cccc4cccnc34
InChI
1S/2C9H7NO.H2O4S.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4;/h2*1-6,11H;(H2,1,2,3,4);1H2
InChI key
BNCXJZDIJIVJJO-UHFFFAOYSA-N
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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