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About This Item
Empirical Formula (Hill Notation):
C9H12ClNO · HCl
CAS Number:
Molecular Weight:
222.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H
SMILES string
Cl[H].COc1c(C)cnc(CCl)c1C
InChI key
LCJDHJOUOJSJGS-UHFFFAOYSA-N
assay
98%
mp
128-131 °C (lit.)
functional group
chloro
Quality Level
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Nan Li et al.
Toxicology in vitro : an international journal published in association with BIBRA, 41, 159-167 (2017-02-22)
The in vitro EpiSkin™ test method was validated in 2007 by the European Union Reference Laboratory for alternatives to animal testing (EURL ECVAM) as a full replacement method for the Draize acute skin irritation test and adopted in the OECD
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