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95-46-5

95-46-5 structural image
Product Name: 2-Bromotoluene
Formula: C7H7Br
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description O-bromotoluene is a clear colorless to pale beige liquid. (NTP, 1992)
Color/Form COLORLESS LIQ
Boiling Point 358 °F at 760 mmHg (NTP, 1992)
Melting Point -15 °F (NTP, 1992)
Flash Point 174 °F (NTP, 1992)
Solubility less than 1 mg/mL at 59 °F (NTP, 1992)
Density 1.431 at 59 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 5.9 (Air= 1)
Vapor Pressure 1 mmHg at 75.9 °F (NTP, 1992)
LogP log Kow = 3.50
Heat of Vaporization 11,365.0 gcal/gmole
Refractive Index INDEX OF REFRACTION: 1.5565 AT 20 °C/D
Kovats Retention Index 1016.9 1012 1020 1029 1033 1037 1037
Chemical Classes Solvents -> Brominated Solvents

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 171.03 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 169.97311 g/mol
Monoisotopic Mass 169.97311 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 70.8
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

O-bromotoluene is a clear colorless to pale beige liquid. (NTP, 1992)

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