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62-53-3

62-53-3 structural image
Product Name: Aniline
Formula: C6H7N
Synonyms: Aminobenzene, Phenylamine, Benzenamine;Aniline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Aniline appears as a yellowish to brownish oily liquid with a musty fishy odor. Melting point -6 °C; boiling point 184 °C; flash point 158 °F. Denser than water (8.5 lb / gal) and slightly soluble in water. Vapors heavier than air. Toxic by skin absorption and inhalation. Produces toxic oxides of nitrogen during combustion. Used to manufacture other chemicals, especially dyes, photographic chemicals, agricultural chemicals and others.
Color/Form Oily liquid; colorless when freshly distilled, darkens on exposure to air and light
Odor Hedonic tone; pungent
Taste Burning taste
Boiling Point 363 to 367 °F at 760 mmHg (EPA, 1998)
Melting Point 21 °F (EPA, 1998)
Flash Point 158 °F (EPA, 1998)
Solubility 10 to 50 mg/mL at 73 °F (NTP, 1992)
Density 1.022 at 68 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 3.22 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.67 mmHg at 77 °F (EPA, 1998)
LogP 0.9
Henry's Law Constant Henry's Law constant = 2.02X10-6 atm-cu m/mol at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 1139 °F (USCG, 1999)
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).
Viscosity 4.35 cP at 20 °C; 1.62 cP at 60 °C
Heat of Combustion -3392.8 KJ/mol
Heat of Vaporization 55.83 kJ/mol
pH pH = 8.1 (0.2 molar aq soln)
Surface Tension 42.12 dynes/cm at 25 °C in contact with air; 39.41 dynes/cm at 50 °C in contact with air; 36.69 dynes/cm at 75 °C in contact with air.
Ionization Potential 7.70 eV
Ionization Efficiency Positive
Polymerization Unless inhibited (usually methanol), aniline is readily able to polymerize.
Odor Threshold Odor Threshold Low: 0.58 [mmHg] Odor Threshold High: 10.0 [mmHg] Detection odor threshold from AIHA (mean = 2.4 ppm)
Refractive Index Index of refraction: 1.5863 at 20 °C/D
Dissociation Constants 4.6 (at 25 °C; aniline conjugate acid)
Relative Evaporation Rate < 1 (Butyl acetate = 1)
Kovats Retention Index 939.2 945.6 955 955 939.1 952.6 966 967 968 968 983 995 995 946 945 946 947 950 954 947 952 958 964 963 953.3
Other Experimental Properties Easily acylated and alkylated ... easily oxidized to complex self-condensation dyes known as aniline blacks
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H341:Germ cell mutagenicity
H351:Carcinogenicity
H372: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.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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 93.13 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 93.057849228 g/mol
Monoisotopic Mass 93.057849228 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 46.1
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

Aniline is a clear to slightly yellow liquid with a characteristic odor. It does not readily evaporate at room temperature. Aniline is slightly soluble in water and mixes readily with most organic solvents. Aniline is used to make a wide variety of products such as polyurethane foam, agricultural chemicals, synthetic dyes, antioxidants, stabilizers for the rubber industry, herbicides, varnishes and explosives

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