ChemicalBook--->CAS DataBase List--->626-17-5

626-17-5

626-17-5 Structure

626-17-5 Structure
IdentificationMore
[Name]

1,3-Dicyanobenzene
[CAS]

626-17-5
[Synonyms]

1,3-DICYANOBENZENE
BENZENE-1,3-DICARBONITRILE
DCB
IPN
ISOPHTHALODINITRILE
ISOPHTHALONITRILE
M-DICYANOBENZENE
M-PHTHALONITRILE
1,3-Benzendikarbonitril
1,3-benzenedicarbonitrile
1,3-Benzodinitrile
3-Cyanobenzonitrile
Dinitrile of isophthalic acid
dinitrileofisophthalicacid
Isoftalodinitril
isoftalodinitril(czech)
Isoftalonitril
Isophtalonitrile
m-Benzenedinitrile
m-Cyanobenzonitrile
[EINECS(EC#)]

210-933-7
[Molecular Formula]

C8H4N2
[MDL Number]

MFCD00001795
[Molecular Weight]

128.13
[MOL File]

626-17-5.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light brown solid
[Melting point ]

163-165 °C(lit.)
[Boiling point ]

288 °C
[bulk density]

500kg/m3
[density ]

0,992 g/cm3
[vapor pressure ]

13.332Pa at 50℃
[refractive index ]

1.6231 (estimate)
[Fp ]

288°C
[storage temp. ]

Store below +30°C.
[solubility ]

0.7g/l
[form ]

Flakes
[color ]

White to tan
[Water Solubility ]

0.7 g/L (20 ºC)
[BRN ]

1072209
[Exposure limits]

ACGIH: TWA 5 mg/m3
NIOSH: TWA 5 mg/m3
[InChI]

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

LAQPNDIUHRHNCV-UHFFFAOYSA-N
[SMILES]

N#Cc1cccc(c1)C#N
[LogP]

1.5 at 25℃
[CAS DataBase Reference]

626-17-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Benzenedicarbonitrile(626-17-5)
[EPA Substance Registry System]

626-17-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R20/22:Harmful by inhalation and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[OEB]

B
[OEL]

TWA: 5 mg/m3
[RIDADR ]

2811
[WGK Germany ]

1
[RTECS ]

CZ1900000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29269020
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Safety Profile]

Poison by ingestion. An eye irritant. When heated to decomposition it emits toxic fumes of NOx and CN-. See also NITRILES.
[Hazardous Substances Data]

626-17-5(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonia-->m-Xylene-->Hydrogen cyanide-->1,3-Dichlorobenzene-->Isophthalic acid-->Cyclone separator-->Heat exchanger
[Preparation Products]

Isophthalic acid-->Chlorothalonil-->Perfluorocyclohexane-->3,5-Dicyanofluorobenzene-->3-(2H-Tetrazol-5-yl)benzonitrile-->IsophthalaMidoxiMe, 97%
Hazard InformationBack Directory
[General Description]

White, crystalline or flaky solid with an almond-like odor. Mp:161-2°C (sublimes) Density 1.28 g cm-3 (at 25°C). Insoluble in water. Soluble in benzene and in acetone. Used as an intermediate in the manufacture of polyurethane paints and varnishes, pharmaceuticals, and agricultural chemicals.
[Reactivity Profile]

m-PHTHALODINITRILE is a combustible solid. Emits toxic fumes of NOx and CN-when heated to decomposition. Incompatible with strong oxidizing agents.
[Description]

1,3-Dicyanobenzene appears as white, crystalline or flaky solid with an almond-like odor. mp: 161-162 °C (sublimes) Density 1.28 g/cm3 (at 25 °C). Insoluble in water. Soluble in benzene and in acetone. Used as an intermediate in the manufacture of polyurethane paints and varnishes, pharmaceuticals, and agricultural chemicals.
[Chemical Properties]

off-white to light brown solid
[Uses]

An intermediate in the manufacture of paints, varnishes, and agricultural chemicals.
[Definition]

ChEBI: Isophthalonitrile is a nitrile. It is functionally related to an isophthalic acid.
[Health Hazard]

m-Phthalodinitrile is a skin irritant in animals.In humans there have been no reports of adverse effects. The probable reason for lack of systemic effects is that aromatic, unlike aliphatic, nitriles do not liberate cyanide in the body.
[Flammability and Explosibility]

Notclassified
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

DCB(626-17-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Dicyanobenzene(626-17-5)MS
1,3-Dicyanobenzene(626-17-5)1HNMR
1,3-Dicyanobenzene(626-17-5)13CNMR
1,3-Dicyanobenzene(626-17-5)IR1
1,3-Dicyanobenzene(626-17-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Dicyanobenzene, 98%(626-17-5)
[Alfa Aesar]

Isophthalonitrile, 98%(626-17-5)
[Sigma Aldrich]

626-17-5(sigmaaldrich)
[TCI AMERICA]

Isophthalonitrile,>98.0%(T)(626-17-5)
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