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105-11-3

105-11-3 Structure

105-11-3 Structure
IdentificationMore
[Name]

1,4-Benzoquinone dioxime
[CAS]

105-11-3
[Synonyms]

1,4-BENZOQUINONE DIOXIME
1,4-CYCLOHEXADIENEDIONE DIOXIME
1,4-QUINONE DIOXIME
P-BENZOQUINEONE DIOXIME
P-BENZOQUINONE DIOXIME
P-QUINONE DIOXIME
1,4-Benzochinondioxim
2,5-Cyclohexadiene-1,4-dione,dioxime
Actor Q
actorq
Benzo-1,4-quinone dioxime
Benzoquinone dioxime
Dibenzo pqd
dibenzopqd
Dioxime 1,4-cyclohexadienedione
Dioxime 2,5-cyclohexadiene-1,4-dione
Dioxime p-benzoquinone
dioxime1,4-cyclohexadienedione
dioxime2,5-cyclohexadiene-1,4-dione
dioximep-benzoquinone
[EINECS(EC#)]

203-271-5
[Molecular Formula]

C6H6N2O2
[MDL Number]

MFCD00063636
[Molecular Weight]

138.12
[MOL File]

105-11-3.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow to brown crystals or powder
[Melting point ]

243 °C (dec.)(lit.)
[Boiling point ]

253.51°C (rough estimate)
[density ]

1,49 g/cm3
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.5100 (estimate)
[Fp ]

°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

dioxane: soluble0.1g/10 mL, clear
[form ]

Solid
[pka]

9.12±0.20(Predicted)
[color ]

White
[Stability:]

Stable. Incompatible with strong acids, strong oxidizing agents.
[Water Solubility ]

<0.01 g/100 mL at 22.5 ºC
[BRN ]

2043234
[InChI]

1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6+
[InChIKey]

LNHURPJLTHSVMU-CGXWXWIYSA-N
[SMILES]

O\N=C1/C=C\C(C=C1)=N\O
[LogP]

0.3 at 35℃
[CAS DataBase Reference]

105-11-3(CAS DataBase Reference)
[IARC]

3 (Vol. 29, Sup 7, 71) 1999
[NIST Chemistry Reference]

2,5-Cyclohexadiene-1,4-dione, dioxime(105-11-3)
[EPA Substance Registry System]

105-11-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
[Signal word ]

Warning
[Hazard statements ]

H341-H302-H351
[Precautionary statements ]

P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501-P301+P312a-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

DK4900000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29280000
[Storage Class]

1 - Explosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Carc. 2
Expl. 1.1
Eye Irrit. 2
Flam. Sol. 2
Muta. 2
Skin Sens. 1A
[Safety Profile]

Moderately toxic by ingestion. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx,.
[Hazardous Substances Data]

105-11-3(Hazardous Substances Data)
[Toxicity]

LD50 oral in rat: 464mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,4-Benzoquinone-->4-Nitrosophenol
[Preparation Products]

Amidinothiourea
Hazard InformationBack Directory
[General Description]

Pale yellow crystals or brown powder.
[Reactivity Profile]

P-QUINONE DIOXIME(105-11-3) is incompatible with strong oxidizers and strong acids.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available; however, P-QUINONE DIOXIME is probably combustible.
[Chemical Properties]

pale yellow to brown crystals or powder
[Definition]

ChEBI: Para-Benzoquinone dioxime is a quinone imine.
[Flammability and Explosibility]

Flammable
[Biochem/physiol Actions]

p-Benzoquinone dioxime is sex-specific rat carcinogen inducing tumours of the urinary bladder in female rats and is a direct-acting mutagen in Salmonella typhimurium TA982.
[Synthesis]

In recent years, the industrial production of 1,4-benzoquinone dioxime is mainly based on the following method: in the presence of sulfuric acid at a certain concentration at 0°C, sodium nitrite nitrosation of phenol dissolved in 30% NaOH solution to prod
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Benzoquinone dioxime(105-11-3).msds
Questions And AnswerBack Directory
[Uses]

A rubber accelerator.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Benzoquinone dioxime(105-11-3)MS
1,4-Benzoquinone dioxime(105-11-3)1HNMR
1,4-Benzoquinone dioxime(105-11-3)13CNMR
1,4-Benzoquinone dioxime(105-11-3)IR1
1,4-Benzoquinone dioxime(105-11-3)IR2
1,4-Benzoquinone dioxime(105-11-3)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Benzoquinone dioxime, moistened with ca. 30% water, 94%(105-11-3)
[Alfa Aesar]

p-Benzoquinone dioxime, 95%(105-11-3)
[Sigma Aldrich]

105-11-3(sigmaaldrich)
[TCI AMERICA]

1,4-Benzoquinone Dioxime,>98.0%(N)(105-11-3)
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