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About This Item
Empirical Formula (Hill Notation):
C9H5N
CAS Number:
Molecular Weight:
127.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
3-Phenyl-2-propynenitrile, 98%
InChI
1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H
SMILES string
N#CC#Cc1ccccc1
InChI key
IYXVSRXFGYDNEV-UHFFFAOYSA-N
assay
≥97.5% (GC)
98%
mp
37-42 °C
functional group
nitrile
phenyl
storage temp.
2-8°C
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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