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645-00-1

645-00-1 structural image
Product Name: 1-Iodo-3-nitrobenzene
Formula: C6H4INO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Monoclinic prisms or tan solid. (NTP, 1992)
Boiling Point 536 °F at 760 mmHg (NTP, 1992)
Melting Point 97 to 100 °F (NTP, 1992)
Flash Point 161 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 1.9477 at 122 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.00174 [mmHg]
Kovats Retention Index 1456.5
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H228:Flammable solids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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 249.01 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 248.92868 g/mol
Monoisotopic Mass 248.92868 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 134
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

Monoclinic prisms or tan solid. (NTP, 1992)