105-11-3

Name 1,4-Benzoquinone dioxime
CAS 105-11-3
EINECS(EC#) 203-271-5
Molecular Formula C6H6N2O2
MDL Number MFCD00063636
Molecular Weight 138.12
MOL File 105-11-3.mol
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Chemical Properties

Appearance pale yellow to brown crystals or powder
Melting point  243 °C (dec.)(lit.)
Boiling point  253.51°C (rough estimate)
density  1,49 g/cm3
vapor pressure  0Pa at 25℃
refractive index  1.5100 (estimate)
Fp  °C
storage temp.  Sealed in dry,Room Temperature
solubility  dioxane: soluble0.1g/10 mL, clear
form  Solid
pka 9.12±0.20(Predicted)
color  White
Stability: Stable. Incompatible with strong acids, strong oxidizing agents.
Water Solubility  <0.01 g/100 mL at 22.5 ºC
BRN  2043234
InChI 1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6+
InChIKey LNHURPJLTHSVMU-CGXWXWIYSA-N
SMILES O\N=C1/C=C\C(C=C1)=N\O
LogP 0.3 at 35℃
CAS DataBase Reference 105-11-3(CAS DataBase Reference)
IARC 3 (Vol. 29, Sup 7, 71) 1999
NIST Chemistry Reference 2,5-Cyclohexadiene-1,4-dione, dioxime(105-11-3)
EPA Substance Registry System 105-11-3(EPA Substance)
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Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
Signal word  Warning
Hazard statements  H341-H302-H351
Precautionary statements  P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501-P301+P312a-P501a
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
RTECS  DK4900000
TSCA  Yes
REACH Registrations Active
HS Code  29280000
Storage Class 1 - Explosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2
Carc. 2
Expl. 1.1
Eye Irrit. 2
Flam. Sol. 2
Muta. 2
Skin Sens. 1A
Safety Profile
Moderately toxic by ingestion. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx,.
Hazardous Substances Data 105-11-3(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 464mg/kg

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