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99-30-9

99-30-9 structural image
Product Name: 2,6-Dichloro-4-nitroaniline
Formula: C6H4Cl2N2O2
Synonyms: 2,6-Dichloro-4-nitroaniline;Dichloran
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dichloran appears as yellow crystals or solid. Slight aniline odor. Used as a fungicide. Insoluble in water, but often formulated as a wettable powder (easily dispersed in water).
Color/Form Yellow needles from alcohol and acetic acid
Odor Odorless
Boiling Point at 0.27kPa: 130 °C
Melting Point 374 to 378 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 77 °F (NTP, 1992)
Density 0.28 (bulk)
Vapor Pressure 1.2e-06 mmHg at 68 °F (NTP, 1992)
LogP log Kow = 2.80 at 25 °C
Stability/Shelf Life STABLE TO HYDROLYSIS & OXIDATION
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride and nitrogen oxides/.
Corrosivity NON-CORROSIVE
Dissociation Constants pKa = 3.31
Collision Cross Section 132.54 Ų [M+H]+ 129.45 Ų [M-H]-
Kovats Retention Index 1716 1699.4 1696.7 1709.7 1680 1682.1 1693.5 1691.3
Other Experimental Properties BROWNISH-YELLOW /TECHNICAL PRODUCT, PURITY MORE THAN 90%/
Chemical Classes Pesticides -> Fungicides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P262:Do not get in eyes, on skin, or on clothing.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 207.01 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 205.9649828 g/mol
Monoisotopic Mass 205.9649828 g/mol
Topological Polar Surface Area 71.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 173
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

Dichloran appears as yellow crystals or solid. Slight aniline odor. Used as a fungicide. Insoluble in water, but often formulated as a wettable powder (easily dispersed in water).

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