6804-07-5

Name Carbadox
CAS 6804-07-5
EINECS(EC#) 229-879-0
Molecular Formula C11H10N4O4
MDL Number MFCD00057293
Molecular Weight 262.22
MOL File 6804-07-5.mol

Chemical Properties

Appearance Yellow Crystalline Solid
Melting point  239-240°C
Boiling point  405.47°C (rough estimate)
density  1.3602 (rough estimate)
refractive index  1.6000 (estimate)
Fp  18°(64°F)
storage temp.  2-8°C
solubility  DMSO (Slightly, Sonicated)
form  powder
pka 10.51±0.46(Predicted)
color  Yellow to Dark Yellow
Water Solubility  Soluble in 1N NaOH (50 mg/ml), and water (partly).
Henry's Law Constant 2.2×1017 mol/(m3Pa) at 25℃, HSDB (2015)
Stability: Light Sensitive
InChI 1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+
InChIKey OVGGLBAWFMIPPY-WUXMJOGZSA-N
SMILES COC(=O)N\N=C\c1cn(=O)c2ccccc2n1=O
CAS DataBase Reference 6804-07-5
EPA Substance Registry System Hydrazinecarboxylic acid, 2-[(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (6804-07-5)

Safety Data

Hazard Codes  F,T
Risk Statements 
Safety Statements 
RIDADR  UN 1325 4.1/PG 2
WGK Germany  3
RTECS  FE2779000
HazardClass  4.1
HS Code  29339900
Storage Class 4.1B - Flammable solid hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Carc. 1B
Flam. Sol. 1
Safety Profile
Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Nox.
Hazardous Substances Data 6804-07-5(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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