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About This Item
Empirical Formula (Hill Notation):
C7H9NO
CAS Number:
Molecular Weight:
123.15
PubChem Substance ID:
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
4306037
MDL number:
SMILES string
C[C@@H](O)c1ccncc1
InChI
1S/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3/t6-/m1/s1
InChI key
HVOAMIOKNARIMR-ZCFIWIBFSA-N
grade
puriss.
assay
≥99.0% (sum of enantiomers, GC)
optical activity
[α]20/D +56±3°, c = 1% in chloroform
Other Notes
Chiral auxiliary used e.g. in the kinetic resolution of α-arylalkanoic acids
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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A. Franck et al.
Chemistry Letters (Jpn), 1431-1431 (1984)
H. Gaertner et al.
Angewandte Chemie (International Edition in English), 96, 166-166 (1984)
U. Salz et al.
Chemische Berichte, 117, 3457-3457 (1984)
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