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1,4-Dinitrobenzene Structure

1,4-Dinitrobenzene

Chemical Properties

Melting point 170-173 °C(lit.)
Boiling point 183.4 °C34 mm Hg(lit.)
Density  1.625 g/mL at 25 °C(lit.)
vapor pressure  2.25 x 10-4 mmHg at 35 °C (Hine et al., 1963)
refractive index  1.725 (589.3 nm)
Flash point 150 °C
storage temp.  Store below +30°C.
solubility  alcohol: soluble1g in 300ml
form  Crystals or Powder
color  Ochre to orange
Water Solubility  Soluble in water. (0.8 g/L) at 20°C.
Specific Heat Capacity Cp(crystal): 1.19 J/(g·K), at 25℃
Merck  14,3273
BRN  1105828
Henry's Law Constant 4.79(x 10-7 atmm3/mol) at 35 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limits ACGIH:TLV-TWA 0.15 ppm (1 mg/m3),Inhalable fraction,and vapor
OSHA:PEL-TWA 1 mg/m3
NIOSH:REL-TWA 1 mg/m3
Stability Stable, but may be shock-sensitive. May explode if heated. Incompatible with oxidizing agents, strong bases, nitric acid, many metals, tin oxides.
InChI 1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKey FYFDQJRXFWGIBS-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(cc1)[N+]([O-])=O
CAS DataBase Reference 100-25-4(CAS DataBase Reference)
EPA Substance Registry System p-Dinitrobenzene (100-25-4)

Safety Information

Hazard Codes  T+,N,T,F
Risk Statements  26/27/28-33-34-50/53-52/53-39/23/24/25-23/24/25-11
Safety Statements  28-36/37-45-60-61-16
RIDADR  UN 3443 6.1/PG 2
OEB C
OEL TWA: 1 mg/m3 [skin]
WGK Germany  3
RTECS  CZ7525000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29042090
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Dermal
Acute Tox. 1 Inhalation
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 1
STOT RE 2
Hazardous Substances Data 100-25-4(Hazardous Substances Data)
Toxicity IC50 (24-h) for river bacteria 1.27 mg/L (Yuan and Lang, 1997).

MSDS

Usage And Synthesis

1,4-Dinitrobenzene Supplier