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99-54-7

99-54-7 structural image
Product Name: 3,4-Dichloronitrobenzene
Formula: C6H3Cl2NO2
Synonyms: 1,2-Dichloro-4-nitrobenzene;3,4-Dichloro-1-nitrobenzene, 1-Nitro-3.4-dichlorine benzene;3,4-Dichloronitrobenzene;asym.-Nitro-o-dichlorobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3,4-dichloronitrobenzene appears as colorless crystals or light beige solid. (NTP, 1992)
Color/Form Needles from alcohol
Boiling Point 491 to 493 °F at 760 mmHg (NTP, 1992)
Melting Point 109 °F (NTP, 1992)
Flash Point 255 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 74.3 °F (NTP, 1992)
Density 1.4558 at 167 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 6.63 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.01 [mmHg]
LogP log Kow = 3.12
Henry's Law Constant Henry's Law constant = 8.07X10-6 amt-cu m/mol at 25 °C
Autoignition Temperature 420 °C
Kovats Retention Index 1353.6
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 192.00 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 190.9540837 g/mol
Monoisotopic Mass 190.9540837 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 159
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

3,4-dichloronitrobenzene appears as colorless crystals or light beige solid. (NTP, 1992)