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28064-81-5

Product Name: CHLOROPROPANOL, MIXED ISOMERS
Formula: C3H7ClO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-chloropropanol-1 appears as a colorless liquid with a mild odor. Slightly denser than water. Toxic by ingestion and inhalation. Flash point 270 °F. Used to make plastics, resins and other chemicals.
Boiling Point 320 to 329 °F at 760 mmHg (NTP, 1992)
Flash Point 164 °F (NTP, 1992)
Solubility 50 to 100 mg/mL at 73 °F (NTP, 1992)
Density 1.13 to 1.15 at 68 °F (NTP, 1992)
Vapor Pressure 1.2 [mmHg]
Chemical Classes Other Classes -> Halogenated Alcohols

COMPUTED DESCRIPTORS

Molecular Weight 94.54 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 94.0185425 g/mol
Monoisotopic Mass 94.0185425 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 16.4
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

3-chloropropanol-1 appears as a colorless liquid with a mild odor. Slightly denser than water. Toxic by ingestion and inhalation. Flash point 270 °F. Used to make plastics, resins and other chemicals.