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Cas Database |
| Name |
Nitroxinil |
EINECS | 216-884-8 |
| CAS No. | 1689-89-0 | Density | 2.24 g/cm3 |
| PSA | 89.84000 | LogP | 2.29988 |
| Solubility | N/A | Melting Point |
136 - 139oC |
| Formula | C7H3IN2O3 | Boiling Point | 280.1 °C at 760 mmHg |
| Molecular Weight | 290.017 | Flash Point | 123.2 °C |
| Transport Information | UN 2811 6.1/PG 3 | Appearance | white to yellow powder |
| Safety | 26-36/37-45 | Risk Codes | 25-36/37/38-43 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
2-Iodo-4-cyano-6-nitrophenol;3-Nitro-4-hydroxy-5-iodobenzonitrile;3-Nitro-5-iodo-4-hydroxybenzonitrile;4-Cyano-2-iodo-6-nitrophenol;4-Hydroxy-3-iodo-5-nitrobenzonitrile;M and B 10755; |
Article Data | 8 |
Nitroxinil Chemical Properties
Product Name: Nitroxinil (CAS NO.1689-89-0)
Molecular Formula: C7H3IN2O3
Molecular Weight: 290.02g/mol
Mol File: 1689-89-0.mol
EINECS: 216-884-8
Boiling point: 280.1 °C at 760 mmHg
Flash Point: 123.2 °C
Density: 2.24 g/cm3
Index of Refraction: 1.735
Molar Refractivity: 51.8 cm3
Molar Volume: 129 cm3
Surface Tension: 91.7 dyne/cm
Enthalpy of Vaporization: 53.97 kJ/mol
Vapour Pressure: 0.00227 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Nitroxinil (CAS NO.1689-89-0):
IUPAC Name: 4-hydroxy-3-iodo-5-nitrobenzonitrile
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
InChI: InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChIKey: SGKGVABHDAQAJO-UHFFFAOYSA-N
Product Categories: Aromatic Nitriles
Nitroxinil Toxicity Data With Reference
| 1. | orl-mam LDLo:125 mg/kg | FAZMAE Fortschritte der Arzneimittelforschung. 17 (1973),108. | ||
| 2. | par-mam LDLo:50 mg/kg | FAZMAE Fortschritte der Arzneimittelforschung. 17 (1973),108. |
Nitroxinil Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
Nitroxinil Safety Profile
A poison by ingestion and parenteral routes. When heated to decomposition it emits very toxic fumes of I−, NOx, and CN−. See also NITRILES.
Safety Information of Nitroxinil (CAS NO.1689-89-0):
Hazard Codes T
Risk Statements 25-36/37/38-43
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Safety Statements 26-36/37-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR UN2811 6.1/PG 3
RTECS DI4600000
Nitroxinil Specification
Nitroxinil , its CAS NO. is 1689-89-0, the synonyms are 4-Hydroxy-3-iodo-5-nitrobenzonitrile ; Benzonitrile, 4-hydroxy-3-iodo-5-nitro- .
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