8.00593
Phthalonitrile
for synthesis
Synonym(s):
Phthalonitrile, 1,2-Benzenedicarbonitrile
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About This Item
Linear Formula:
C6H4-1,2-(CN)2
CAS Number:
Molecular Weight:
128.13
UNSPSC Code:
12352117
EC Index Number:
202-044-8
NACRES:
NA.22
MDL number:
Assay:
≥98% (GC)
vapor pressure
<1 Pa ( 25 °C)
Quality Level
assay
≥98% (GC)
autoignition temp.
>580 °C
potency
85 mg/kg LD50, oral (Rat)
pH
7 ( in H2O)
mp
138-141 °C
transition temp
flash point >130 °C
solubility
0.56 g/L
density
1.24 g/cm3 at 20 °C
bulk density
500 kg/m3
storage temp.
2-30°C
SMILES string
N#Cc1c(cccc1)C#N
InChI
1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
InChI key
XQZYPMVTSDWCCE-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 98 %
Melting range
- lower value:
≥ 138 °C
- upper value: ≤ 141 °C
Identity (IR): passes test
Melting range
- lower value:
≥ 138 °C
- upper value: ≤ 141 °C
Identity (IR): passes test
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 3
Storage Class
6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
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