Isophthalonitrile

Name: Isophthalonitrile
Brand: MM

for synthesis

Synonym(s):

Isophthalonitrile, Benzene-1,3-dicarbonitrile, 1,3-Dicyanobenzene

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About This Item

Empirical Formula (Hill Notation):

C₈H₄N₂

CAS Number:

626-17-5

Molecular Weight:

128.13

MDL number:

MFCD00001795

UNSPSC Code:

12352117

EC Index Number:

210-933-7

NACRES:

NA.22

vapor pressure

0.014 hPa ( 20 °C)

Quality Level

200

Assay

≥98.0% (GC)

form

powder

potency

>2000 mg/kg LD₅₀, oral (Rat)
>2000 mg/kg LD₅₀, skin (Rabbit)

bp

288 °C/1013 hPa

mp

162-163 °C

density

1.3 g/cm³ at 20 °C

bulk density

500 kg/m³

storage temp.

2-30°C

SMILES string

N#Cc1cc(ccc1)C#N

InChI

1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H

InChI key

LAQPNDIUHRHNCV-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 159 °C
Melting range (upper value): ≤ 162 °C
Identity (IR): passes test

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Certificates of Analysis (COA)

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