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Cas Database |
| Name |
2-Chloro-5-nitrobenzonitrile |
EINECS | 240-643-6 |
| CAS No. | 16588-02-6 | Density | 1.47 g/cm3 |
| PSA | 69.61000 | LogP | 2.64308 |
| Solubility | N/A | Melting Point |
105-107 °C(lit.) |
| Formula | C7H3ClN2O2 | Boiling Point | 300.3 °C at 760 mmHg |
| Molecular Weight | 182.566 | Flash Point | 135.4 °C |
| Transport Information | UN 3276 | Appearance | Light yellow crystalline powder |
| Safety | 26-37/39-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
1-Chloro-2-cyano-4-nitrobenzene;2-Chloro-5-nitrobenzonitrile;6-Chloro-3-nitrobenzonitrile;NSC 28973; |
Article Data | 23 |
2-Chloro-5-nitrobenzonitrile Chemical Properties
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:
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2-Chloro-5-nitrobenzonitrile Uses
2-Chloro-5-nitrobenzonitrile (CAS NO.16588-02-6) is used as dye intermediates and disperse red S-FL dye intermediates.
2-Chloro-5-nitrobenzonitrile 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. |
2-Chloro-5-nitrobenzonitrile Safety Profile
Hazard Codes of 2-Chloro-5-nitrobenzonitrile (CAS NO.16588-02-6): 
Xn
Xi
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
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