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85-02-9

85-02-9 structural image
Product Name: 5,6-BENZOQUINOLINE
Formula: C13H9N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)
Boiling Point 662 °F at 721 mmHg (NTP, 1992)
Melting Point 199 to 201 °F (NTP, 1992)
Flash Point 330.8 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 66 °F (NTP, 1992)
Vapor Pressure 5.5 mmHg at 66 °F (NTP, 1992)
Kovats Retention Index 306.96
Chemical Classes Nitrogen Compounds -> Quinolines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H341:Germ cell mutagenicity
H401:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 179.22 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 179.073499291 g/mol
Monoisotopic Mass 179.073499291 g/mol
Topological Polar Surface Area 12.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 201
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

Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)