Product Name

  • Name

    3,5-DINITROPHENOL

  • EINECS
  • CAS No. 586-11-8
  • Article Data19
  • CAS DataBase
  • Density 1.65g/cm3
  • Solubility 13.42g/L(51.6 oC)
  • Melting Point 125.1°C
  • Formula C6H4 N2 O5
  • Boiling Point 341.1°Cat760mmHg
  • Molecular Weight 184.108
  • Flash Point 157.2°C
  • Transport Information
  • Appearance
  • Safety A poison by unspecified routes. When heated to decomposition it emits toxic fumes of NOx. See also 2,4-DINITROPHENOL.
  • Risk Codes
  • Molecular Structure Molecular Structure of 586-11-8 (3,5-DINITROPHENOL)
  • Hazard Symbols
  • Synonyms 3,5-Dinitrophenol;Phenol, q-dinitro-
  • PSA 111.87000
  • LogP 2.25500

3,5-Dinitrofenol Chemical Properties

Molecular Structure of 3,5-Dinitrofenol (586-11-8):

IUPAC Name: 3,5-Dinitrophenol
Molecular Formula: C6H4N2O5
Molecular Weight: 184.106360 g/mol
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
InChI: InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
InChIKey: UEMBNLWZFIWQFL-UHFFFAOYSA-N
Index of Refraction: 1.66
Molar Refractivity: 41.22 cm3
Molar Volume: 111.5 cm3
Surface Tension: 79.6 dyne/cm
Density: 1.65 g/cm3
Flash Point: 157.2 °C
Enthalpy of Vaporization: 60.78 kJ/mol
Boiling Point: 341.1 °C at 760 mmHg
Vapour Pressure: 4.17E-05 mmHg at 25 °C
Water Solubility: 1929 mg/L at 25 °C
BRN: 1879348

3,5-Dinitrofenol Toxicity Data With Reference

1.    

unk-rat LD50:45 mg/kg

    JPPMAB    Journal of Pharmacy and Pharmacology. 11 (1959),462.
2.    

unk-mus LD50:50 mg/kg

    JPPMAB    Journal of Pharmacy and Pharmacology. 11 (1959),462.
3.    

unk-dog LDLo:500 mg/kg

    JPPMAB    Journal of Pharmacy and Pharmacology. 11 (1959),462.

3,5-Dinitrofenol Safety Profile

Safety Information of 3,5-Dinitrofenol (586-11-8):
RIDADR: 1320
HazardClass: 4.1
PackingGroup: I
A poison by unspecified routes. When heated to decomposition it emits toxic fumes of NOx. See also 2,4-DINITROPHENOL.

3,5-Dinitrofenol Specification

  3,5-Dinitrofenol (586-11-8) is known as 3,5-Dinitrofenol [Czech] ; 3,5-Dinitrophenol ; 4-06-00-01385 (Beilstein Handbook Reference) ; AI3-28910 ; Phenol, 3,5-dinitro- .

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