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542-76-7

542-76-7 structural image
Product Name: 3-Chloropropiononitrile
Formula: C3H4ClN
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Propionitrile, 3-chloro- is a colorless liquid with a characteristic acrid odor. Used in pharmaceutical and polymer synthesis. (EPA, 1998)
Color/Form COLORLESS LIQ
Odor ACRID CHARACTERISTIC ODOR
Boiling Point 347 to 349 °F at 760 mmHg (EPA, 1998)
Melting Point -60 °F (EPA, 1998)
Flash Point 168 °F (EPA, 1998)
Solubility MISCIBLE WITH ACETONE, BENZENE, CARBON TETRACHLORIDE, ALC, ETHER
Density 1.1573 at 68 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 3 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 5 mmHg at 114.8 °F (EPA, 1998)
Decomposition BEGINS TO DECOMP WHEN HEATED ABOVE 130 °C EVOLVING HYDROGEN CHLORIDE
Refractive Index INDEX OF REFRACTION: 1.4341 @ 25 °C/D
Kovats Retention Index 753.9
Chemical Classes Nitrogen Compounds -> Nitriles

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes 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 89.52 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 89.0032268 g/mol
Monoisotopic Mass 89.0032268 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 51.2
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

Propionitrile, 3-chloro- is a colorless liquid with a characteristic acrid odor. Used in pharmaceutical and polymer synthesis. (EPA, 1998)