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646-14-0

646-14-0 structural image
Product Name: 1-NITROHEXANE
Formula: C6H13NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)
Boiling Point 356 to 358 °F at 760 mmHg (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 0.939 (NTP, 1992) - Less dense than water; will float
Kovats Retention Index 1001.2 1003.5 1004.4 1005.8 1006.6 1008.4 1010 1011.7 1013.6 1015.4 1009.4 1009.7

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 131.17 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 131.094628657 g/mol
Monoisotopic Mass 131.094628657 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 77.6
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

PRODUCT INTRODUCTION

description

1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)