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42492-95-5

42492-95-5 structural image
Product Name: 2-HYDROXYPROPIONITRILE
Formula: C3H5NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid. (EPA, 1998)
Color/Form YELLOW LIQUID
Boiling Point 360 to 363 °F at 760 mmHg Slight decomposition (EPA, 1998)
Melting Point -40 °F (EPA, 1998)
Flash Point 170 °F (EPA, 1998)
Solubility greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Density 0.9877 at 68 °F (EPA, 1998) - Less dense than water; will float
Vapor Density 2.45 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 10 mmHg at 165.2 °F (EPA, 1998)
LogP log Kow= -0.94
Decomposition ... WHEN HEATED TO DECOMP, IT RELEASES HIGHLY TOXIC CYANIDE FUMES.
Refractive Index Index of refraction: 1.4058 @ 18 °C/D
Chemical Classes Nitrogen Compounds -> Nitriles

COMPUTED DESCRIPTORS

Molecular Weight 71.08 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 71.037113783 g/mol
Monoisotopic Mass 71.037113783 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 60.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid. (EPA, 1998)