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121-69-7

121-69-7 structural image
Product Name: N,N-Dimethylaniline
Formula: C8H11N
Synonyms: Dimethylaminobenzene;N,N-Dimethylaniline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N,n-dimethylaniline appears as a yellow to brown colored oily liquid with a fishlike odor. Less dense than water and insoluble in water. Flash point 150 °F. Toxic by ingestion, inhalation, and skin absorption. Used to make dyes and as a solvent.
Color/Form Pale-yellow, oily liquid [Note: A solid below 36 degrees F]
Odor Amine-like odor
Boiling Point 381 °F at 760 mmHg (NTP, 1992)
Melting Point 36.4 °F (NTP, 1992)
Flash Point 145 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 0.9557 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density 4.17 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 mmHg at 85.1 °F (NTP, 1992)
LogP log Kow = 2.31
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 700 °F (NTP, 1992)
Decomposition When heated to decomposition it emits highly toxic fumes of aniline and NOx.
Viscosity 1.300 mPa.s at 25 °C
Heat of Vaporization 52.83 kJ/mol at 25 °C
Surface Tension 35.52 mN/m at 25 °C
Ionization Potential 7.14 eV
Ionization Efficiency Positive
Odor Threshold Odor Threshold Low: 0.001 [mmHg] Odor Threshold High: 0.2 [mmHg] Odor threshold from AIHA
Refractive Index Index of refraction: 1.5582 at 20 °C/D
Dissociation Constants pKa = 5.07 at 25 °C
Kovats Retention Index 1065.4 1062.07 1062.37 1062.71 1063 1100 1083.9 1094.5 1074 1087 1087 1100 1062 1067 1073 1068 1086.1 1073 1061 1080
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.48X10-10 cu cm/molecule-sec at 25 °C
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 H351:Carcinogenicity
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 121.18 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 121.089149355 g/mol
Monoisotopic Mass 121.089149355 g/mol
Topological Polar Surface Area 3.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 72.6
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

N,n-dimethylaniline appears as a yellow to brown colored oily liquid with a fishlike odor. Less dense than water and insoluble in water. Flash point 150 °F. Toxic by ingestion, inhalation, and skin absorption. Used to make dyes and as a solvent.

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