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The IUPAC name of 1,4-Benzoquinone dioxime is N-(4-nitrosophenyl)hydroxylamine. With the CAS registry number 105-11-3, it is also named as 1,4-Benzochinondioxim. The product's categories are Nitrogen Compounds; Organic Building Blocks; Oximes. Besides, it is pale yellow to brown crystals or powder, which should be stored in a closed, cool and ventilated place. It is stable, and incompatible with strong acids, strong oxidizing agents. In addition, its molecular formula is C6H6N2O2 and molecular weight is 138.12.
The other characteristics of this product can be summarized as: (1)EINECS: 203-271-5; (2)ACD/LogP: 1.17; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.17; (5)ACD/LogD (pH 7.4): 1.12; (6)ACD/BCF (pH 5.5): 4.56; (7)ACD/BCF (pH 7.4): 4.05; (8)ACD/KOC (pH 5.5): 103.08; (9)ACD/KOC (pH 7.4): 91.47; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 35.45 cm3; (15)Molar Volume: 104.4 cm3; (16)Surface Tension: 53.2 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 134.6 °C; (19)Melting Point: 243 °C; (20)Water solubility: <0.01 g/100 mL at 22.5 °C; (21)Enthalpy of Vaporization: 56.9 kJ/mol; (22)Boiling Point: 298.9 °C at 760 mmHg; (23)Vapour Pressure: 0.000552 mmHg at 25 °C.
Preparation of 1,4-Benzoquinone dioxime: this chemical can be prepared by the reaction as follows:
Uses of 1,4-Benzoquinone dioxime: this chemical is used as vulcanizer of butyl rubber, natural rubber, styrene butadiene rubber. It is also used for the determination of nickel. Additionally, it can react with 2-Carboxy-benzenediazonium; chloride to get 1-Hydroxy-1-(p-nitrosophenyl)-3-(o-carboxyphenyl)triazene.
This reaction needs aq. NaOH at temperature of 5 °C. The yield is 86 %.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. And limited evidence of a carcinogenic effect. You should wear suitable protective clothing and gloves. Moreover, in case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC=C1NO)N=O
(2)InChI: InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H
(3)InChIKey: DZCCLNYLUGNUKQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1420mg/kg (1420mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(10), Pg. 15, 1964. | |
rat | LD50 | oral | 464mg/kg (464mg/kg) | Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, |