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16588-02-6

Basic Information
CAS No.: 16588-02-6
Name: 2-Chloro-5-nitrobenzonitrile
Article Data: 23
Molecular Structure:
Molecular Structure of 16588-02-6 (2-Chloro-5-nitrobenzonitrile)
Formula: C7H3ClN2O2
Molecular Weight: 182.566
Synonyms: 1-Chloro-2-cyano-4-nitrobenzene;2-Chloro-5-nitrobenzonitrile;6-Chloro-3-nitrobenzonitrile;NSC 28973;
EINECS: 240-643-6
Density: 1.47 g/cm3
Melting Point: 105-107 °C(lit.)
Boiling Point: 300.3 °C at 760 mmHg
Flash Point: 135.4 °C
Appearance: Light yellow crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39-36
Transport Information: UN 3276
PSA: 69.61000
LogP: 2.64308
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Chemistry

IUPAC Name: 2-chloro-5-nitrobenzonitrile
Synonyms of 2-Chloro-5-nitrobenzonitrile (CAS NO.16588-02-6): 2-Chlor-5-nitrobenzonitril [German] ; EINECS 240-643-6 ; Benzonitrile, 2-chloro-5-nitro- 
CAS NO: 16588-02-6
Molecular Formula:  C7H3ClN2O2
Molecular Weight: 182.5639 
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 69.61 Å2
Index of Refraction: 1.599
Molar Refractivity: 42.18 cm3
Molar Volume: 123.4 cm3
Surface Tension: 62.6 dyne/cm
Density: 1.47 g/cm3
Flash Point: 135.4 °C
Enthalpy of Vaporization: 54.03 kJ/mol
Boiling Point: 300.3 °C at 760 mmHg
Vapour Pressure: 0.00113 mmHg at 25°C
Molecular Structure:

Uses

 2-Chloro-5-nitrobenzonitrile (CAS NO.16588-02-6) is used as dye intermediates and disperse red S-FL dye intermediates.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
 

Safety Profile

Hazard Codes of 2-Chloro-5-nitrobenzonitrile (CAS NO.16588-02-6): HarmfulXnIrritantXi
Risk Statements: 20/21/22-36/37/38
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: 26-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection. 
S36: Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
RTECS: DI3040000