ChemicalBook--->CAS DataBase List--->104-91-6

104-91-6

104-91-6 Structure

104-91-6 Structure
IdentificationMore
[Name]

4-Nitrosophenol
[CAS]

104-91-6
[Synonyms]

1,4-BENZOQUINONE MONOXIME
4-NITROSOPHENOL
P-BENZOQUINONE MONOXIME
P-NITROSOPHENOL
P-QUINONE MONOXIME
1,4-Benzopuinonemonoxime
2,5-Cyclohexadiene-1,4-dionemonoxime
4-Nitrosofenol
4-nitroso-pheno
enzoquinone monooxime
nitroso-4phenol
Nitrosophenol
para-nitrosophenol
p-Chinonmonoxim
Phenol, p-nitroso-
Phenol,4-nitroso-
p-nitroso-pheno
Quinomeoxime
Quinone monoxime
Quinone(mon)oxime
[EINECS(EC#)]

203-251-6
[Molecular Formula]

C6H5NO2
[MDL Number]

MFCD00002329
[Molecular Weight]

123.11
[MOL File]

104-91-6.mol
Chemical PropertiesBack Directory
[Appearance]

black solid
[Melting point ]

132-144°C
[Boiling point ]

229.19°C (rough estimate)
[density ]

1.3147 (rough estimate)
[refractive index ]

1.5423 (estimate)
[pka]

pK1:6.48 (25°C)
[color ]

Pale-yellow, orthorhombic needles
[Stability:]

Stability Flammable. Incompatible with strong oxidizing agents. Explodes when heated, or in contact with acids or alkalies.
[Water Solubility ]

<0.1 g/100 mL at 21 ºC
[Merck ]

6642
[Uses]

Dyes.
[CAS DataBase Reference]

104-91-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 4-nitroso-(104-91-6)
[EPA Substance Registry System]

104-91-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
R40:Limited evidence of a carcinogenic effect.
R41:Risk of serious damage to eyes.
R68:Possible risk of irreversible effects.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed.
[Safety Statements ]

S15:Keep away from heat .
S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S49:Keep only in the original container .
S47:Keep at temperature not exceeding ... E C (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3236
[RTECS ]

SM4725000
[HazardClass ]

4.1
[PackingGroup ]

II
[Safety Profile]

Poison by parented 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. See also NITROSO COMPOUNDS.
[Hazardous Substances Data]

104-91-6(Hazardous Substances Data)
[Toxicity]

mmo-sat 50 mg/plate FCTXAV 18,523,80
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Sulphur Blue 7-->Sulphur Red 6-->Vat Blue 42-->Vat Blue 43-->1,4-Benzoquinone dioxime-->C.I.Leuco Sulphur Red 6-->Sulphur Red 6-->Sulphur Blue 7 -Leuco-->N-(2,4-diamino-5-(4-oxocyclohexa-2,5-dienylideneamino)phenyl)acetamide-->C.I. Sulphur Violet 5 (8CI)-->C.I. Sulphur Violet 4 (8CI)-->C.I. Sulphur Violet 3 (8CI)-->2,5-Cyclohexadien-1-one, 4-[[4-(phenylamino)phenyl]imino]-, reaction products with sodium sulfide (Na2(Sx))-->Acetamide, N-[2,4-diamino-5-[(4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenyl]-, reaction products with sodium sulfide (Na2(Sx)), oxidized-->Sulfurized phenols-->C.I. Sulphur Blue 6 (8CI,9CI)-->Benzenesulfonic acid, 4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]-, reaction products with sodium sulfide (Na2(Sx)), leuco derivs.-->Leuco Sulphur Violet 3-->Leuco Sulphur Blue 2-->2,5-Cyclohexadien-1-one, 4-[[4-(phenylamino)phenyl]imino]-, reaction products with sodium sulfide (Na2(Sx)), leuco derivs.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrosophenol (104-91-6).msds
Hazard InformationBack Directory
[Hazard]

Dangerous fire and explosion risk, reacts violently with acids and alkalies, may explode spontaneously, intraplant transport must be in tightly covered steel barrels.
[Chemical Properties]

black solid
[Purification Methods]

4-Nitrosophenol forms yellow crystals from xylene, *C6H6 (m ~144o) or Et2O (m 128-129o, dec). [Beilstein 7 H 622, 7 II 574, 7 III 3367.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrosophenol(104-91-6)MS
4-Nitrosophenol(104-91-6)1HNMR
4-Nitrosophenol(104-91-6)13CNMR
4-Nitrosophenol(104-91-6)IR1
4-Nitrosophenol(104-91-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104-91-6(sigmaaldrich)
[TCI AMERICA]

4-Nitrosophenol  (wetted with ca. 40% Water, containing 25g on a dry weight basis),>98.0%(T)(104-91-6)
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