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542-56-3

542-56-3 structural image
Product Name: Isobutyl nitrite
Formula: C4H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Isobutyl nitrite is a clear colorless to pale yellow liquid. Boiling point 154.4 °F (68 °C).
Color/Form COLORLESS LIQUID
Boiling Point 153 °F at 760 mmHg (NTP, 1992)
Flash Point -10 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 0.87 at 72 °F (NTP, 1992) - Less dense than water; will float
Vapor Density greater than 1 (NTP, 1992) (Relative to Air)
Vapor Pressure 10 mmHg at 68 °F ; 17.80 mmHg at 86 °F (NTP, 1992)
Refractive Index INDEX OF REFRACTION: 1.3715 AT 22 °C/D
Kovats Retention Index 544 576 576
Other Experimental Properties UV: 3-22 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Sec-butyl nitrite/
Chemical Classes Nitrogen Compounds -> Nitrates and Nitrites

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H341:Germ cell mutagenicity
H350:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 103.12 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
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 53.7
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

PRODUCT INTRODUCTION

description

Isobutyl nitrite is a clear colorless to pale yellow liquid. Boiling point 154.4 °F (68 °C).