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121-87-9

121-87-9 structural image
Product Name: 2-Chloro-4-nitroaniline
Formula: C6H5ClN2O2
Synonyms: 1-Amino-2-chloro-4-nitrobenzene;2-Chloro-4-nitroaniline;4-Amino-3-chloronitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-chloro-4-nitroaniline is a yellow crystalline powder. (NTP, 1992)
Color/Form Yellow needles from water
Melting Point 225 to 228 °F (NTP, 1992)
Flash Point 205 °C
Solubility Very soluble in ether, ethanol, acetic acid
Vapor Pressure 0.000485 [mmHg]
LogP log Kow = 2.14
Henry's Law Constant Henry's Law constant = 0.54X10-9 atm-cu m/mol at 25 °C
Dissociation Constants pKa = -0.94 (conjugate acid)
Chemical Classes Nitrogen Compounds -> Nitroanilines

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 P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 172.57 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 172.0039551 g/mol
Monoisotopic Mass 172.0039551 g/mol
Topological Polar Surface Area 71.8 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

2-chloro-4-nitroaniline is a yellow crystalline powder. (NTP, 1992)