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6804-07-5

6804-07-5 structural image
Product Name: Carbadox
Formula: C11H10N4O4
Synonyms: 3-(2-Quinoxalinylmethylene)carbazic acid methyl ester N,N′-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow solid; Practically insoluble in water; [Merck Index]
Color/Form Minute yellow crystals
Melting Point 239.5-240 °C
Solubility 32.4 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure Vapor pressure, Pa at 25 °C:
LogP log Kow = 0.13
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Collision Cross Section 160.18 Ų [M-H]- 159.03 Ų [M+Na]+ 155.81 Ų [M+H]+
Chemical Classes Other Uses -> Animal Feed Additives

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H228:Flammable solids
H302:Acute toxicity,oral
H350:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 262.22 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 262.07020481 g/mol
Monoisotopic Mass 262.07020481 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 352
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Carbadox is a quinoxaline derivative.