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About This Item
Empirical Formula (Hill Notation):
C17H13ClN4O
CAS Number:
Molecular Weight:
324.76
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (TLC)
Form:
powder
Quality Segment
assay
≥98% (TLC)
form
powder
drug control
Home Office Schedule 4.1; regulated under CDSA - not available from Sigma-Aldrich Canada
color
white to off-white
solubility
methylene chloride: ~20 mg/mL, clear, colorless to faintly yellow
SMILES string
OCc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12
InChI
1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
InChI key
ZURUZYHEEMDQBU-UHFFFAOYSA-N
Disclaimer
store dessicated and protected from light
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
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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