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1689-89-0

Basic Information
CAS No.: 1689-89-0
Name: Nitroxinil
Article Data: 8
Molecular Structure:
Molecular Structure of 1689-89-0 (Nitroxinil)
Formula: C7H3IN2O3
Molecular Weight: 290.017
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;
EINECS: 216-884-8
Density: 2.24 g/cm3
Melting Point: 136 - 139oC
Boiling Point: 280.1 °C at 760 mmHg
Flash Point: 123.2 °C
Appearance: white to yellow powder
Hazard Symbols: ToxicT
Risk Codes: 25-36/37/38-43
Safety: 26-36/37-45
Transport Information: UN 2811 6.1/PG 3
PSA: 89.84000
LogP: 2.29988
Raw Materials
3272-08-0
Downstream Products
25845-22-1
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Chemistry

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

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.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

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  TToxic
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

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- .