Basic information
- CAS
105-11-3- Standard SMILES
O=Nc1ccc(NO)cc1- InChIKey
LNHURPJLTHSVMU-CGXWXWIYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292744
Overview
Para-Benzoquinone dioxime is a quinone imine.
Names & identifiers
- Preferred name
- 1,4-Benzoquinone dioxime
- IUPAC
- N-(4-nitrosophenyl)hydroxylamine
- English name
- 1,4-Benzoquinone dioxime
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
105-11-31,4-Benzoquinone dioximep-Benzoquinonedioximep-Quinone dioximeP-BENZOQUINONE DIOXIMEBenzoquinone dioximeQuinone dioximeActor Qp-Quinone oximeDibenzo PQDpara-Benzoquinone dioximeParaquinondioxime
Show more names
(1E,4E)-benzoquinone dioxiMeQDO1,4-QUINONE DIOXIMEPQD4-BENZOQUINONEDIOXIME
N-(4-nitrosophenyl)hydroxylamine2,5-Cyclohexadiene-1,4-dione, dioximeDioxime p-benzoquinonepara-Quinone oximeG-M-FNCI-C03850p-Benzoquinone, dioximeDioxime 1,4-cyclohexadienedione
Database identifiers
- CAS
105-11-3- PubChem CID
- 7737
- DTXSID
DTXSID8021222- ChEMBL
CHEMBL1585396- ChEBI
CHEBI:82404- UNII
- MGE6YH92Q2
- Nikkaji
- J5.040G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
LogP1.49
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 243 °C · 243 °C (dec.)(lit.)
- Boiling point
- 253.51 °C · 253.51°C (rough estimate)
- Density
- 1 · 1,49 g/cm3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.51 · 1.5100 (estimate)
- Flash point
- °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.1 g/10 · dioxane: soluble0.1g/10 mL, clear
- pka
- 9.12 · 9.12±0.20(Predicted)
- form
- Solid
- color
- White
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 2,5-Cyclohexadiene-1,4-dione, dioxime
2,5-Cyclohexadiene-1,4-dione, dioxime: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Toxicology
Carcinogen Classification
para-Benzoquinone dioxime
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 29: (1982) Some Industrial Chemicals and Dyestuffs
1999
1998
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DK4900000
- hs_code
- 29280000
- Toxicity
- LD50 oral in rat: 464mg/kg
- risk_code
- 22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- Xn
- safety_code
- 45-36/37-60
- Storage Class
- 1 - Explosive hazardous materials
- Hazard statements
- H341-H302-H351
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Carc. 2Expl. 1.1Eye Irrit. 2Flam. Sol. 2Muta. 2Skin Sens. 1A
Chemistry & industry
Applications
UsesA rubber accelerator.
Usesp-Benzoquinone dioxime was used in oxidative regeneration of a variety of carbonyl compounds from their oximes using superoxide ion generated in situ by the phase transfer reaction between potassium superoxide and 18-crown-6.
General DescriptionPale yellow crystals or brown powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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