| Identification | More | [Name]
Phthalonitrile | [CAS]
91-15-6 | [Synonyms]
1,2-BENZENEDICARBONITRILE
1,2-DICYANOBENZENE
O-PHTHALODINITRILE
O-PHTHALONITRILE
PHTHALODINITRILE
PHTHALONITRILE
1,2-Benzendikarbonitril
1,2-Benzodinitrile
Ftalodinitril
Ftalonitril
o-Benzenedicarbonitrile
o-Benzenedinitrile
o-Cyanobenzonitrile
o-Dicyanobenzene
o-PDN
o-pdn[qr]
o-phthalodinitrile[qr]
ortho-dicyanobenzene[qr]
Phthalic acid dinitrile
phthalicacid,dinitrile[qr] | [EINECS(EC#)]
202-044-8 | [Molecular Formula]
C8H4N2 | [MDL Number]
MFCD00001771 | [Molecular Weight]
128.13 | [MOL File]
91-15-6.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to tan powder | [Melting point ]
137-139 °C (lit.) | [Boiling point ]
227.54°C (rough estimate) | [bulk density]
500kg/m3 | [density ]
1.24
| [vapor pressure ]
<1 Pa (25 °C) | [refractive index ]
1.6231 (estimate) | [Fp ]
162°C | [storage temp. ]
Store below +30°C. | [solubility ]
benzene: 50 mg/mL, clear
| [form ]
Crystals or Crystalline Powder | [color ]
White to beige | [PH]
7 (H2O) | [Stability:]
Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents. | [Water Solubility ]
0.56 g/L (25 ºC) | [BRN ]
775028 | [Henry's Law Constant]
2.0×101 mol/(m3Pa) at 25℃, HSDB (2015) | [Exposure limits]
ACGIH: TWA 1 mg/m3 | [InChI]
1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H | [InChIKey]
XQZYPMVTSDWCCE-UHFFFAOYSA-N | [SMILES]
N#Cc1ccccc1C#N | [CAS DataBase Reference]
91-15-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Phthalonitrile(91-15-6) | [EPA Substance Registry System]
91-15-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H412 | [Precautionary statements ]
P264-P270-P273-P301+P310-P405-P501 | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3439 6.1/PG 2
| [WGK Germany ]
1
| [RTECS ]
TI8575000
| [Autoignition Temperature]
>580 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29269095 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Oral
Aquatic Chronic 3 | [Safety Profile]
Poison by ingestion,
subcutaneous, and intraperitoneal routes.
Questionable carcinogen with experimental
tumorigenic data. When heated to
decomposition it emits toxic fumes of CN-
and NOx. See also NITRILES. | [Hazardous Substances Data]
91-15-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 85 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
Phthalonitrile is a crystalline powder having a faint grayish yellow color and a slighty aromatic odor, similar to benzonitrile. Phthalonitrile was first described in 1896 when it was isolated during the diazotization of 2-aminobenzonitrile. The compound is sparingly soluble in water (ca. 1 g/L) and soluble in acetone, nitrobenzene, and benzonitrile. It cannot be distilled and polymerizes if heated above the melting point. It is not explosive and is difficult to ignite, but the dust can explode. | [Uses]
Phthalonitrile is used as a starting material for producing phthalocyanine pigments (→ Phthalocyanines), fluorescent brightners, and photographic sensitizers. | [Preparation]
Phthalonitrile can be produced from phthalic acid, phthalic anhydride, phthalamide, or phthalimide by reaction with ammonia and elimination of water at 300–500°C in the gas phase in the presence of a catalyst.
In a single-stage continuous process, o-xylene is converted to phthalonitrile by reaction with ammonia and oxygen in the gas phase in a fluidized-bed reactor. Generally, metal oxide mixtures containing vanadium, antimony, chromium, and molybdenum, with further active components such as iron, tungsten, and alkali-metal oxides, on an alumina or silica support are used as catalysts. | [Reactions]
The route from o-phthalodinitrile can be represented 4C8H4N2 +M → MPc, where M is a bivalent metal, metal halide, metal alcoholate, or an equivalent amount of metal of valence other than two in a 4:1 molar ratio. | [Flammability and Explosibility]
Notclassified | [Purification Methods]
Crystallise the nitrile from EtOH, toluene or *benzene. It has also been distilled under high vacuum. It is steam volatile. [Beilstein 9 H 815, 9 II 602, 9 III 4199, 9 IV 3268.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|