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About This Item
Empirical Formula (Hill Notation):
C13H16N2O
CAS Number:
Molecular Weight:
216.28
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
InChI
1S/C13H16N2O/c1-3-14(4-2)13(16)15-10-9-11-7-5-6-8-12(11)15/h5-10H,3-4H2,1-2H3
SMILES string
CCN(CC)C(=O)n1ccc2ccccc12
InChI key
DNEILLNCDATSFX-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.575
bp
140-147 °C/0.8 mmHg
density
1.089 g/mL at 25 °C
Application
- reactant in preparation of substituted indoles via ortho-metalation and Suzuki-Miyaura cross coupling
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
12 - Non Combustible Liquids
wgk
WGK 3
flash_point_f
>230.0 °F - closed cup
flash_point_c
> 110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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