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Key Documents

8.00593

Sigma-Aldrich

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:
91-15-6
Molecular Weight:
128.13
MDL number:
MFCD00001771
UNSPSC Code:
12352117
EC Index Number:
202-044-8
NACRES:
NA.22

vapor pressure

<1 Pa ( 25 °C)

Quality Level

200

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

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

pictograms

Skull and crossbones
GHS06

signalword

Danger

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_germany

WGK 1

Certificates of Analysis (COA)

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