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About This Item
Empirical Formula (Hill Notation):
C19H21Cl2N3O · 2HCl
CAS Number:
Molecular Weight:
451.22
UNSPSC Code:
12171500
NACRES:
NA.32
PubChem Substance ID:
EC Number:
241-129-4
Beilstein/REAXYS Number:
8176205
MDL number:
solubility
DMSO: soluble
Quality Segment
suitability
suitable for Ames test in Salmonella and E. coli (Frameshift mutagenic standard)
storage temp.
2-8°C
SMILES string
Cl[H].Cl[H].COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1
InChI
1S/C19H21Cl2N3O.2ClH/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17;;/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24);2*1H
InChI key
LMEMIKWTNPWYMI-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Carc. 1B
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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