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About This Item
Empirical Formula (Hill Notation):
C9H7ClN2O
CAS Number:
Molecular Weight:
194.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
242-516-0
MDL number:
Assay:
98%
assay
98%
mp
155-158 °C (lit.)
functional group
chloro
SMILES string
Oc1ccc(Cl)cc1-c2cc[nH]n2
InChI
1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChI key
DMGLUMYOLOAXJY-UHFFFAOYSA-N
General description
4-Chloro-2-(1H-pyrazol-3-yl)phenol undergoes Mannich reaction with N,N′-bis(methoxymethyl)diaza-18-crown-6 to afford NCH2N-linked bis(3-(5-chloro-2-hydroxy)pyrazol-1-ylmethyl)-substituted diazacrown ether (98% yield).
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - 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
dust mask type N95 (US), Eyeshields, Gloves
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