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108-42-9

108-42-9 structural image
Product Name: 3-Chloroaniline
Formula: C6H6ClN
Synonyms: 3-Chloroaniline;m-Chloroaniline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description M-chloroaniline is a colorless to light amber liquid with a sweet odor. (NTP, 1992)
Color/Form Colorless to light amber, tends to darken during storage
Odor Characteristic sweet odor
Boiling Point 446.9 °F at 760 mmHg (NTP, 1992)
Melting Point 13.5 °F (NTP, 1992)
Flash Point 255 °F (NTP, 1992)
Solubility less than 1 mg/mL at 64 °F (NTP, 1992)
Density 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 4.41 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure less than 0.1 mmHg at 86 °F ; 1 mmHg at 146.3 °F; 760 mmHg at 443.3 °F (NTP, 1992)
LogP log Kow = 1.88
Henry's Law Constant Henry's Law constant = 1.0X10-6 atm-cu m/mol at 25 °C
Stability/Shelf Life Tends to darken during storage.
Autoignition Temperature >540 °C
Decomposition When heated to decomposition, it emits toxic fumes of /hydrogen chloride and nitrogen oxides/.
Refractive Index Index of refraction: 1.5931 at 20 °C/D
Dissociation Constants pKa = 3.521 at 25 °C (conjugate acid)
Kovats Retention Index 1160.6 1204 1204 1157 1157 1157 1156 1155 1158
Other Experimental Properties Heat of decomposition was determined as zero.
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H330:Acute toxicity,inhalation
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes 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.
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 127.57 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 127.0188769 g/mol
Monoisotopic Mass 127.0188769 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 74.9
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

M-chloroaniline is a colorless to light amber liquid with a sweet odor. (NTP, 1992)

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