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116-66-5

116-66-5 structural image
Product Name: 1,1,3,3,5-PENTAMETHYL-4,6-DINITROINDANE
Formula: C14H18N2O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1870.6

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 278.30 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 278.12665706 g/mol
Monoisotopic Mass 278.12665706 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 435
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes