Basic information
- CAS
495-73-8- Standard SMILES
O=Nc1ccc(NNC(=O)c2ccccc2)cc1- InChIKey
MQIVNMHALJNFMG-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Overview
Benquinox is a member of benzamides.
Names & identifiers
- Preferred name
- Benquinox
- IUPAC
- N'-(4-nitrosophenyl)benzohydrazide
- English name
- p-benzoquinone 1-benzoylhydrazon-4-oxime
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
BenquinoxCerenox495-73-8TserenoxLerenoxBenchinoxCEREDONBenquinox [ISO]BenguinoxCerelineTillantoxCereden
Show more names
QBHCOBHB-15080MQIVNMHALJNFMG-UHFFFAOYSA-NN'-(4-nitrosophenyl)benzohydrazidep-benzoquinone 1-benzoylhydrazon-4-oxime
Quinone oxime benzoylhydrazoneBayer 15080Caswell No. 075Bp-Benzoquinone oxime benzoylhydrazoneChinonoxime-benzoylhydrazoneHSDB 2759Chinonoxim-benzoylhydrazon1,4-Benzoquinone N'-benzoylhydrazone oxime
Database identifiers
- CAS
495-73-8- PubChem CID
- 10320
- DTXSID
DTXSID2041624- ChEBI
CHEBI:82066- UNII
- XVO47UK8V8
- EC Number
- 207-807-9
- Nikkaji
- J6.082H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
PesticidesPesticides -> Fungicides
Color/FormYELLOW-BROWN POWDER; YELLOW CRYSTALS FROM ETHANOL
Solubility
IN WATER 5 PPM; SOL IN ORGANIC SOLVENTS
SOL IN FORMAMIDE
Physical DescriptionYellow or yellow-brown solid; [HSDB]
Stability/Shelf LifeNON-VOLATILE
Other Experimental PropertiesPOWDER DECOMP @ 195 °C; CRYSTALS DECOMP @ 207 °C
Physicochemical properties
- Boiling point
- 384.02 °C · 384.02°C (rough estimate)
- Density
- 1.2057 · 1.2057 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- solubility
- soluble in No data available
- 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.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
DOT Hazard Classification
Benquinox
Marine pollutant
Hazard Classes and Categories
Acute toxicity (ingestion) - category 3
Acute Tox. 3 *
Safety data
- ridadr
- 2588
- Toxicity
- LD50 oral in rat: 100mg/kg
- risk_code
- 21-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H301-H312
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
- Hazardous Substances Data
Chemistry & industry
Uses & manufacturing
Uses
Used for protection of seeds and seedlings from soil fungi; Developed by Bayer in 1951 and product discontinued by Bayer sometime before 1983; [HSDB]
Farming (Pesticides) [Category: Industry]
FUNGICIDE
Methods of Manufacturing...BY INTERACTION OF FRESHLY PREPARED SOLID NITROSOPHENOL WITH ACID AQ SOLN OF BENZOYLHYDRAZINE; PRODUCT IS USED WITHOUT FURTHER PURIFICATION (PETERSEN S ET AL; AGNEW CHEM 76: 217 (1955)).
Formulations/PreparationsCEREDON SPECIAL, CERELINE, TILLANTOX, WITH PHENYLMERCURIC CHLORIDE; CEREDON T, WITH THIRAM; RHIZOCTOL SLURRY, RHIZOCTOL COMBI, WITH METHYLARSINIC SULFIDE.
General Manufacturing Information
DEVELOPED IN 1951 BY BAYER & INTRODUCED IN 1955 AS FUNGICIDE: (FROHBERGER PE; PHYTOPATH Z 27: 427 (1956); FRENCH PATENT 1,093,364; US PATENT 2,785,101; DEUTSCHE AUSLEGESCHRIFT PATENT 1,001,854.
PRODUCT DISCONTINUED BY BAYER AG.
FOR PROTECTION OF SEED AND SEEDLINGS FROM SOIL FUNGI. NOT SUITABLE FOR USE AGAINST SEED-BORNE DISEASES OF CEREALS.
Applications
DescriptionBenquinox is an obsolete fungicide which is no long approved for use in most of the developed world. It has a low aqueous solubility and is slightly mobile. There are large gaps in data in the public domain regarding its environmental fate. It is moderately toxic to mammals and highly toxic to fish.
Usesp-benzoquinone 1-benzoylhydrazon-4-oxime is used in the synthesis of P-glycoprotein inhibitors. It is also a compound displaying antifungal and antibacterial activity.
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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