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540-80-7

540-80-7 structural image
Product Name: tert-Butyl nitrite
Formula: C4H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow liquid with an agreeable odor; [Merck Index] Sweet odor; [Alfa Aesar MSDS]
Kovats Retention Index 533
Chemical Classes Nitrogen Compounds -> Nitrates and Nitrites

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 103.12 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 103.063328530 g/mol
Monoisotopic Mass 103.063328530 g/mol
Topological Polar Surface Area 38.7 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 64.6
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

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All suppliers(18)