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Basic Information
CAS No.: 860-39-9
Name: 4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 860-39-9 (4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE)
Formula: C14H6 F6 N2 O4 S2
Molecular Weight: 444.335
Synonyms: Disulfide,bis(a,a,a-trifluoro-2-nitro-p-tolyl) (7CI,8CI); Bis(a,a,a-trifluoro-2-nitro-p-tolyl)disulfide; Bis[2-nitro-4-(trifluoromethyl)phenyl] disulfide; NSC 677457; NSC77119
Density: 1.6554 (estimate)
Melting Point: 157-160°C
Boiling Point: 426.6±45.0 °C(Predicted)
Hazard Symbols:
Risk Codes: 23/24/25
Safety: Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, and F−.
PSA: 142.24000
LogP: 7.38640
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Chemistry

IUPAC Name: 2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl-4-(trifluoromethyl)benzene
Synonyms of Bis(2-nitro-4-trifluoromethylphenyl) disulfide (CAS NO.860-39-9): 4-06-00-02215 (Beilstein Handbook Reference) ; BRN 2230031 ; Disulfide, bis(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl) ; NSC 77119 ; USAF MA-9 ; Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) ; Disulfide, bis(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl) ; Disulfide, bis(alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl) (8CI)
CAS NO: 860-39-9 
Molecular Formula of Bis(2-nitro-4-trifluoromethylphenyl) disulfide (CAS NO.860-39-9): C14H6F6N2O4S2
Molecular Weight: 444.3289 
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 142.24 Å2
Index of Refraction: 1.593
Molar Refractivity: 89.53 cm3
Molar Volume: 263.9 cm3
Surface Tension: 55.4 dyne/cm
Density of Bis(2-nitro-4-trifluoromethylphenyl) disulfide (CAS NO.860-39-9): 1.68 g/cm3
Flash Point: 211.8 °C
Enthalpy of Vaporization: 65.51 kJ/mol
Boiling Point: 426.6 °C at 760 mmHg
Vapour Pressure: 4.34E-07 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: ToxicT  
Risk Statements: 23/24/25 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-45 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2811
Hazard Note: Toxic
HazardClass: TOXIC
Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, and F−.