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31643-49-9

Basic Information
CAS No.: 31643-49-9
Name: 5-Nitrobenzene-1,2-dicarbonitrile
Article Data: 21
Cas Database
Molecular Structure:
Molecular Structure of 31643-49-9 (5-Nitrobenzene-1,2-dicarbonitrile)
Formula: C8H3N3O2
Molecular Weight: 173.131
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;
EINECS: 250-748-9
Density: 1.41 g/cm3
Melting Point: 142-144 °C(lit.)
Boiling Point: 389.9 °C at 760 mmHg
Flash Point: 189.6 °C
Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
Appearance: light yellow, light greenish or light grey
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36
PSA: 93.40000
LogP: 1.86136
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  • 5-Nitrobenzene-1,2-dicarbonitrile

  • Casno:

    31643-49-9

    5-Nitrobenzene-1,2-dicarbonitrile

    Min.Order: 100 Gram

    FOB Price:  USD $ 100.0-2000.0

    We are one of a few suppliers that can offer custom synthesis service of this product We are specialized in custom synthesis, chemical/pharmaceutical/ pesticides outsourcing and contract research. We are committed to prov

    SHANGHAI SYSTEAM BIOCHEM CO., LTD. is one of the professional suppliers in Chinese pharmaceutical market and is specialized in custom synthesis, chemical/pharmaceutical/ pesticides

  •  SHANGHAI SYSTEAM BIOCHEM CO., LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-021-58380978

    Address:Building 87,Lane 669, Dong Jing Road Shanghai,P.R.China

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  • Best Quality 4-Nitrophthalonitrile with good supplier

  • Casno:

    31643-49-9

    Best Quality 4-Nitrophthalonitrile with good supplier

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Product name: 4-Nitrophthalonitrile CAS No.:31643-49-9 Molecule Formula:C8H3N3O2 Molecule Weight:173.13 Purity: 99.0% Package: 25kg/drum Description:Off-white powder Manufacture Standards:Enterprise Standard TESTING ITEMS

    Siwei Development Group Ltd. is a reputed professional enterprise in China dedicated to the Amino Acids production and sales of fine chemical products.Over the years we have been m

  •  Siwei Development Group Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-571-82881840

    Address:Rm2-2-503 Zhongdingyuan, Xianghurenjia Wenyan Xiaoshan, Hangzhou China

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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: 12Xn

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.

6.

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