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Basic Information
CAS No.: 104-91-6
Name: 4-Nitrosophenol
Article Data: 66
Molecular Structure:
Molecular Structure of 104-91-6 (4-Nitrosophenol)
Formula: C6H5NO2
Molecular Weight: 123.111
Synonyms: Phenol,p-nitroso- (6CI,8CI);4-Nitrosophenol;NSC 3124;Nitrosophenol;p-Nitrosophenol;
EINECS: 203-251-6
Density: 1.236 g/cm3
Melting Point: 132-144°C
Boiling Point: 265.866 °C at 760 mmHg
Flash Point: 114.592 °C
Solubility: <0.1 g/100 mL at 21℃
Appearance: humid dark powder
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 21/22-40-41-68-51/53-22
Safety: 15-24/25-26-61-49-47-36/37/39
Transport Information: UN 3236
PSA: 49.66000
LogP: 1.79010
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    Product Name 4-Nitrosophenol CAS Registry Number 104-91-6 Molecular Structure Molecular Formula C6H5NO2

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Chemistry

MF: C6H5NO2
MW: 123.11
EINECS: 203-251-6
Density: 1.23 g/cm3 
Flash Point: 114.6 °C 
Melting Point: 132-144°C
Index of Refraction: 1.564
Solubility in water: 8 g/L
IUPAC Name: 4-nitrosophenol
Enthalpy of Vaporization: 52.41 kJ/mol 
Boiling Point: 265.9 °C at 760 mmHg 
Vapour Pressure: 0.00544 mmHg at 25°C
Water Solubility: <0.1 g/100 mL at 21 ºC 
Appearance: Light yellow needle-like crystal rhombus
Stability: Stability Flammable. Incompatible with strong oxidizing agents. Explodes when heated, or in contact with acids or alkalies.
Synonyms: P-nitrosophenol ; P-quinone monoxime ; P-benzoquinone monoxime ; 1,4-Benzopuinonemonoxime ; 2,5-Cyclohexadiene-1,4-dionemonoxime ; 4-Nitrosofenol ; 4-Nitroso-pheno ; Enzoquinone monooxime
Following is the molecular structure of Nitrosofenol (104-91-6):

Toxicity Data With Reference

1.    

mmo-sat 50 µg/plate

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),523.
2.    

cyt-rat :lvr 750 µg/L

    MUREAV    Mutation Research. 153 (1985),57.
3.    

ipr-mus LDLo:250 mg/kg

    CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 6 (1954),148.
4.    

par-mus LDLo:200 mg/kg

    CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),692.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by parenteral and intraperitoneal routes. Mutation data reported. An irritant and sensitizer. Many nitroso compounds are carcinogens. A very dangerous fire and explosion hazard. When exposed to heat or flame, it burns explosively. Contamination by acid or alkali may cause ignition. Can heat spontaneously and cause fire. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Nitrosofenol (104-91-6):
Hazard Codes: Xn,N
Xn: Harmful N: Dangerous for the environment
Risk Statements: 21/22-40-41-68-51/53-22
21/22: Harmful in contact with skin and if swallowed 
40: Limited evidence of a carcinogenic effect 
41: Risk of serious damage to eyes 
68: Possible risk of irreversible effects 
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
22: Harmful if swallowed 
Safety Statements: 15-24/25-26-61-49-47-36/37/39
15: Keep away from heat 
24/25: Avoid contact with skin and eyes 
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 61: Avoid release to the environment. Refer to special instructions safety data sheet
49: Keep only in the original container 
47: Keep at temperature not exceeding ... E C (to be specified by the manufacturer) 
36/37/39: Wear suitable protective clothing, gloves and eye/face protection    
RTECS: SM4725000
HazardClass: 4.1
PackingGroup: II

Specification

Handling and Storage of Nitrosofenol (104-91-6):
Storage: Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct sunlight.Store in a tightly closed container. Flammables-area.
Handling: All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.