4-Nitrophthalonitrile supplier

Name
5-Nitrobenzene-1,2-dicarbonitrile
EINECS 250-748-9
CAS No. 31643-49-9
Article Data21
CAS DataBase
Density 1.41 g/cm³
Solubility Sparingly soluble in water.(0.26 g/L) (25°C),
Melting Point 142-144 °C(lit.)
Formula C₈H₃N₃O₂
Boiling Point 389.9 °C at 760 mmHg
Molecular Weight 173.131
Flash Point 189.6 °C
Transport Information
Appearance light yellow, light greenish or light grey
Safety 26-36
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Phthalonitrile,4-nitro- (6CI,8CI);1,2-Dicyano-4-nitrobenzene;3,4-Dicyanonitrobenzene;4-Nitro-1,2-benzenedicarbonitrile;4-Nitro-1,2-dicyanobenzene;4-Nitro-1,2-phthalonitrile;4-Nitro-o-benzenedinitrile;
PSA 93.40000
LogP 1.86136

4-Nitrophthalonitrile Specification

1.Introduction of 4-Nitrophthalonitrile

The 4-Nitrophthalonitrile,with the register CAS NO 31643-49-9, is a kind of Off-white to pale yellow powder .As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. And 4-Nitrophthalonitrile should be sealed storage in a cool, dry place. 4-Nitrophthalonitrile mainly used as intermediates of dyes and pharmaceutical.

2.properties of 4-Nitrophthalonitrile

EINECS: 250-748-9 (2)H bond acceptors: 5 (3)H bond donors: 0(4)Freely Rotating Bonds: 1 (5)Polar Surface Area: 93.4 Å2 (6)Index of Refraction: 1.602(7)Molar Refractivity: 41.92 cm3 (8)Molar Volume: 122.1 cm3 (9)Surface Tension: 73.6 dyne/cm(10)Density: 1.41 g/cm3 (11)Flash Point: 189.6 °C (12)Enthalpy of Vaporization: 63.93 kJ/mol(13)Boiling Point: 389.9 °C at 760 mmHg (14)Vapour Pressure: 2.76E-06 mmHg at 25°C

3.Structure descriptors of 4-Nitrophthalonitrile

SMILES: N#Cc1cc(ccc1C#N)[N+]([O-])=OInChI: InChI=1/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3HInChIKey: NTZMSBAAHBICLE-UHFFFAOYAUStd. InChI: InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3HStd. InChIKey: NTZMSBAAHBICLE-UHFFF

4.Safety informaiton of 4-Nitrophthalonitrile

Hazard Codes: Xn

RiskStatements: 36/37/38-20/21/22

R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.

R36/37/38: Irritating to eyes, respiratory system and skin.

Safety Statements: 26-36

S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

S36: Wear suitable protective clothing.

WGK Germany: 3

RTECS: TI8576000

5.Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	500mg/kg (500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987.
rat	LD50	oral	850mg/kg (850mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987.

Product Name

5-Nitrobenzene-1,2-dicarbonitrile

4-Nitrophthalonitrile Specification

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