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Benquinox

Benquinox structure

CAS No:
495-73-8
Formula:
C13H11N3O2
Chemical Name:
Benquinox
Synonyms:
Benzoic acid,2-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]hydrazide;Benzoic acid,(4-oxo-2,5-cyclohexadien-1-ylidene)hydrazide 4-oxime;Benzoic acid,[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]hydrazide;Benzoic acid,(4-oxo-2,5-cyclohexadien-1-ylidene)hydrazide,oxime;Bayer 15080;Benquinox;1,4-Benzoquinone N′-benzoylhydrazone oxime;p-Benzoquinone oxime benzoylhydrazone;Cerenox;COBH;GBH;Lerenox;QBH;Quinone oxime benzoylhydrazone;Ceredon;Ceredon T;1,4-Benzoquinone 1-benzoylhydrazone 4-oxime
Categories:
Chemical Reagents > Organic Reagents

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Description

Benquinox is a member of benzamides.

Benquinox Basic Attributes

Molecular Weight：

241.24534

Exact Mass：

241.25

EC Number：

207-807-9

UNII：

XVO47UK8V8

DSSTox ID：

DTXSID2041624

Color/Form：

YELLOW-BROWN POWDER; YELLOW CRYSTALS FROM ETHANOL

Characteristics

PSA：

74.05000

XLogP3：

2.11950

Density：

1.24g/cm3

Boiling Point：

370.6ºC at 760mmHg

Flash Point：

177.9ºC

Refractive Index：

1.623

Water Solubility：

5mg/L(temperature not stated)

Toxicity：

Oral-rat LD50: 100 mg/kg; Oral-Mouse LD50:：100 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Experimental Properties：

POWDER DECOMP @ 195 °C; CRYSTALS DECOMP @ 207 °C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2588

hazard class code：

21-25

safety instructions：

36/37-45

Marks：

Storage features：

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Stability/Shelf Life：

NON-VOLATILE

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P363, P405, and P501

Toxicity

Toxicity class：

highly toxic

Benquinox Use and Manufacturing

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)).

Uses

Benquinox is used in the synthesis of P-glycoprotein inhibitors. It is also a compound displaying antifungal and antibacterial activity.

Formulations：

CEREDON SPECIAL, CERELINE, TILLANTOX, WITH PHENYLMERCURIC CHLORIDE; CEREDON T, WITH THIRAM; RHIZOCTOL SLURRY, RHIZOCTOL COMBI, WITH METHYLARSINIC SULFIDE.

Manufacturing Info：

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.

Analytic Methods：

PRODUCT ANALYSIS: FOR MACRO ANALYSIS, DISSOLVE IN FORMAMIDE, PRECIPITATE WITH CUPRIC ACETATE & WEIGH AS COMPLEX CONTAINING 1 ATOM COPPER & 2 MOLES BENQUINOX: PARTICULARS FROM BAYER LEVERKUSEN.

Computed Properties

Molecular Weight:241.24
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:241.085126602
Monoisotopic Mass:241.085126602
Topological Polar Surface Area:70.6
Heavy Atom Count:18
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes