ACETONITRILE

PRODUCT IDENTIFICATION

CAS NO 75-05-8

ACETONITRILE

EINECS NO. 200-835-2
FORMULA CH3CN
MOL WT. 41.05
H.S. CODE 2926.90

TOXICITY

Oral rat LD50: 2460 mg/kg
SYNONYMS Methyl Cyanide; Cyanomethane; Ethanenitrile;
methanecarbonitrile; Ethyl nitrile; AN; ethanonitrile; Acetonitril; Cyanure de methyl; Methylkyanid;
SMILES by-product of acrylonitrile

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE Clear liquid
MELTING POINT -46 C
BOILING POINT 81 - 82 C
SPECIFIC GRAVITY 0.79
SOLUBILITY IN WATER Miscible
AUTOIGNITION

524 C

pH

 

VAPOR DENSITY 1.4
NFPA RATINGS Health: 2 Flammability: 3 Reactivity: 0
FLASH POINT

2 C

STABILITY Stable under ordinary conditions.

GENERAL DESCRIPTION & APPLICATIONS

Nitrile is an organic compounds containing cyano group (-CN, containing trivalent nitrogen) which is attached to one carbon atom with the general formula RCN. Their names are corresponding to carboxylic acids by changing '-ic acid' to the suffix, '-onitrile' which denotes only the N atom (triply bound) excluding the carbon atom attached to it, or  the suffix, '-carbonitrile' where the carbon atom in the -CN is included, whichever preserves a single letter O. Examples are acetonitrile from acetic acid and benzonitrile from benzoic acid. The prefix,  'cyano-' is used as an alternative naming system to indicate the presence of a nitrile group in a molecule for the compounds of salts and organic derivatives of hydrogen cyanide (HCN). Isocyanides are salts and hydrocarbyl derivatives from the isomer, HN+C-. Sodium cyanide, NaCN; potassium cyanide, KCN; calcium cyanide, Ca(CN)2; and hydrocyanic (or prussic) acid, HCN are examples. Chemically, the simple inorganic cyanides resemble chlorides in many ways. Organic nitriles act as solvents and are reacted further for various application including;

  · Extraction solvent for fatty acids, oils and unsaturated hydrocarbons
  · Solvent for spinning and casting and extractive distillation based on its     selective miscibility with organic compounds.
  · Removing agent of colouring matters and aromatic alcohols
  · Non-aqueous solvent for titrations and for inorganic salts
  · Recrystallization of steroids
  · Parent compound for organic synthesis
  · Solvent or chemical intermediate in biochemistry ( pesticide sequencing and     DNA synthesis)
  · High-pressure liquid chromatographic analysis
  · Catalyst and component of transition-metal complex catalysts
  · Stabilizer for chlorinated solvents
  · Chemical intermediate and solvent for perfumes and pharmaceuticals

Acetonitrile, also called methyl cyanide, is the simplest organic nitrile; clear, flammable liquid; melting at -45 C; boiling at 81.6 C; miscible with water and with common organic solvents such as alcohols, ethers, ethanol, acetone, saturated hydrocarbons (alkenes), chloroform, carbon tetrachloride, ethylene chloride and chlorinated alkanes, but immiscible with many saturated hydrocarbons (alkanes). Gases such as HCl, SO2, and H2S are soluble in acetonitrile. It can be obtained by dehydration of an acetic acid and ammonia mixtureor or by the reaction of ethanol and ammonia in the presence of catalyst such as Ag, Cu, MoO3, and ZnS at moderate temperatures as well as a by-product of acrylonitrile synthesis. Acetonitrile is also produced by the reaction of cyanogen chloride with methane, ketones, ethanol, alkylene epoxides, and paraffins (or olefins). Its primary use is as an extraction solvent for unsaturated hydrocarbons (especially butadiene) and as a general purpose solvent for many compounds including fatty acids and oils based on its selective miscibility. It is used as a general purpose solvent for many compounds. It is used in the production of fibers, rubbers, and resins. It is replacing acrylonitrile, an important starting material in the manufacture of fabrics, plastics, and synthetic rubber. It is used as a chemical intermediate in pesticide, perfume and pharmaceutical manufacturing. It is used in high-performance liquid and gas chromatographic analysis. It is used in extraction and refining of copper.

SALES SPECIFICATION

APPEARANCE

Clear liquid

SPECIFIC GRAVITY

0.781 - 0.785

DISTILLATION RANGE

80.0 - 82.0 C

ACIDITY

0.05% max

WATER

0.5% max

HCN

0.02% max

ACETONE

0.005% max

AMMONIA

6ppm max

ACRYLONITRILE

0.3% max

PROPIONITRILE & HEAVIER

0.5% max

COPPER

0.5ppm max

IRON

0.5ppm max

COLOR 20 max (Pt/Co Scale)
TRANSPORTATION
PACKING 150kgs in drum
HAZARD CLASS 3.2 (Packing group: II)
UN NO. 1648
OTHER INFORMATION
Hazard Symbols: F XN, Risk Phrases: 11-20/22-24-41, Safety Phrases: 16-26-36/37/39-45

PHYSICAL PROPERTIES OF SOLVENTS

Polarity

Group

Formula

Polar

Water

H-OH

Carboxylic Acids

R-COOH

Amides

R-CONH2

Alcohols

R-OH

Amines

R-NH2

Ketones (Aldehydes)

R-CO-R'

Esters

R-COOR'

Alkyl Halides

R-X

Ethers

R-O-R'

Aromatics

Ar-H

Non-polar

Alkanes

R-H

Solvent

CAS RN

Formula M.W. Boiling Point (°C) Melting Point (°C) Density Solubility in water (g/100g) Dielectric Constant Flash Point (°C)
Acetic Acid 64-19-7 C2H4O2 60.05 118 16.6 1.049 Miscible 6.15 39

Acetic Anhydride

108-24-7 C4H6O3 102.09

138-140

-73.11.0812

-

54
Acetone 67-64-1 C3H6O 58.08 56.2 -94.3 0.786 Miscible 20.7(25) -18
Acetonitrile 75-05-8 C2H3N 41.05 81.6 -46 0.786 Miscible 37.5 6
Ammonia solution 7664-41-7 H3N 17.03

-

-

-

-

22.4

-

Benzene 71-43-2 C6H6 78.11 80.1 5.5 0.879 0.18 2.28 -11

Benzonitrile

100-47-0 C7H5N 103.12

191

-13 1.01 Insoluble

-

71
1-Butanol 71-36-3 C4H10O 74.12 117.6 -89.5 0.81 6.3 17.8 35
2-Butanol 78-92-2 C4H10O 74.12 98 -115 0.808 15 15.8(25) 26

Butyl Acetate

123-86-4 C6H12O2 116.16

124-126

-106 0.882 0.68

-

22

tert-Butyl Alcohol 75-65-0 C4H10O 74.12 82.2 25.5 0.786 Miscible 12.5 11
tert-Butyl Methyl Ether 1634-04-4 C5H12O 88.15 55.2 -109 0.741 5.1

-

-28

Carbon Disulfide

75-15-0 CS2 76.13

46

-110 1.2632 0.1185

-

-30
Carbon Tetrachloride 56-23-5 CCl4 153.82 76.7 -22.4 1.594 0.08 2.24 -
Chlorobenzene 108-90-7 C6H5Cl 112.56 131.7 -45.6 1.1066 0.05 2.71 29

1-Chlorobutane

109-69-3 C4H9Cl 92.57

77-78

-123.1 0.886 0.07

-

-6
Chloroform 67-66-3 CHCl3 119.38 61.7 -63.7 1.498 0.795 4.81

-

Cyclohexane 110-82-7 C6H12 84.16 80.7 6.6 0.779 <0.1 2.02 -20
Deuterium oxide 7789-20-0 D2O 20.03 101.3 4 1.107 Miscible

-

-

1,2-Dichlorobenzene

95-50-1 C6H4Cl2 147.00

180

-15 1.306 Insoluble

9.93(25)

67

1,2-Dichloroethane 107-06-2 C2H4Cl2 98.96 83.5 -35.3 1.245 0.861 10.42 13
Diethyl Amine 109-89-7 C4H11N 73.14 55.5 -50 0.7074 Miscible 3.6 -39
Diethyl Ether 60-29-7 C4H10O 74.12 34.6 -116.3 0.713 7.5 4.34 -45
Diethyl Ketone 96-22-0 C5H10O 86.13

102

-39 0.814 4.70

-

13
Diethylene Glycol Dimethyl Ether 111-96-6 C6H14O3 134.17 162 -68 0.943 Miscible 7.23 67
Diethylene Glycol 111-46-6 C4H10O3 106.12 245 -10 1.118 10 31.7 143
Dimethyl Sulfoxide 67-68-5 C2H6OS 78.13 189 18.4 1.092 25.3 47 95

N,N-Dimethylacetamide

127-19-5 C4H9NO 87.12

166

-20

0.937Miscible

37.80

66
Dimethylether 115-10-6 C2H6O 46.07 -22 -138.5

-

-

-

-41
N,N-Dimethylformamide 68-12-2 C3H7NO 73.09 153 -61 0.944 Miscible 36.7 58
1,4-Dioxane 123-91-1 C4H8O2 88.11 101.1 11.8 1.033 Miscible 2.21(25) 12
Ethanol 64-17-5 C2H6O 46.07 78.5 -114.1 0.789 Miscible 24.6 13

2-Ethoxyethyl Ether

112-36-7 C8H18O3 162.23

180-190

-44 0.909 10

-

82

Ethyl Acetate 141-78-6 C4H8O2 88.11 77 -83.6 0.895 8.7 6(25) -4

Ethylene Glycol Dimethyl Ether

110-71-4 C4H10O2 90.12 85 -58 0.868 Miscible 7.2 -6
Ethylene Glycol 107-21-1 C2H6O2 62.07 195 -13 1.115 Miscible 37.7 111
Formic Acid 64-18-6 CH2O2 46.03 100 8.3 1.21 Miscible 58.5

 

Glycerin 56-81-5 C3H8O3 92.09 290 17.8 1.261 Miscible 42.5 160
heptane 142-82-5 C7H16 100.20 98 -90.6 0.684 0.01 1.92 -4
Hexamethylphosphor amide 680-31-9 C6H18N3OP 179.20 232.5 7.2 1.03 Miscible 31.3 105
Hexamethylphosphorous triamide 1608-26-0 C6H18N3P 163.20 150 -44 0.898 Miscible

-

26
Hexane 110-54-3 C6H14 86.18 69 -95 0.659 0.014 1.89 -22

Isoamyl alcohol

123-51-3 C5H12O 88.15

130

-117 0.809 54

-

43

Isobutyl alcohol

78-83-1 78-83-1 74.12

108

-108 0.802 9.5

15.8(25)

28
Isopropanol 67-63-0 C3H8O 88.15 82.4 -88.5 0.785 Miscible 18.3(25) 12
Methanol 67-56-1 CH4O 32.04 64.6 -98 0.791 Miscible 32.6(25) 12

2-Methoxyethanol

109-86-4 C3H8O2 76.10

124-125

-85.10.965Miscible

16.90

38

2-Methoxyethyl Acetate

110-49-6 C5H10O3 118.13

145

-651.009Miscible

-

44

Methyl Ethyl Ketone

78-93-3 C4H8O 72.11 79.6 -86.3 0.805 25.6 18.5 -7

Methyl Isobutyl Ketone

108-10-1 C6H12O 100.16

117-118

-800.79781.9

-

14
1-Methyl-2-pyrrolidinone 872-50-4 CH5H9NO 99.13 202 -24 1.033 10 32 91
Methylene Chloride 75-09-2 CH2Cl2 84.93 39.8 -96.7 1.326 1.32 9.08 1.6
Nitromethane 75-52-5 CH3NO2 61.04 101.2 -29 1.382 9.50 35.9 35
1-Octanol 111-87-5 C8H18O 130.23

196

-15 0.826 Insoluble

-

81
Pentane 109-66-0 C5H12 72.15 36.1 -129.7 0.626 0.04 1.84 -49
Petroleum ether 8032-32-4

-

-

30-60 -40 0.656

-

-

-30
Propanoic acid 79-09-4 C3H6O2 74.08 141 -21.5 0.993 37 3.4 51
1-Propanol 71-23-8 C3H8O 88.15 97 -126 0.803 Miscible 20.1(25) 15

Propylene carbonate

108-32-7 C4H6O3 102.09

240

-55 1.21 Moderately Soluble

-

132
Pyridine 110-86-1 C5H5N 79.10 115.2 -41.6 0.982 Miscible 12.3(25) 17

Tetrachloroethylene

127-18-4 C2Cl4 165.83

121

-22 1.623 0.015

-

-

Tetrahydrofuran 109-99-9 C4H8O 72.11 66 -108.4 0.886 30 7.6 -21
Toluene 108-88-3 C7H8 92.14 110.6 -93 0.867 0.05 2.38(25) 4

1,1,2-Trichlorotrifluoroethane

76-13-1 C2Cl3F3 187.38

47-48

-36 1.575 0.02

-

-

Triethyl amine 121-44-8 C6H15N 101.19 88.9 -114.7 0.728 0.02 2.4 -11
2,2,2-Trifluoroethanol 75-89-8 C2H3F3O 100.04 74.1 -45 1.393

-

26.5

29

Water 7732-18-5 H2O 18.02 100.00 0.00 0.998

-

78.54 -
m-Xylene 108-38-3 C8H10 106.17 139.1 -47.8 0.868 Insoluble 2.37 27
o-Xylene 95-47-6 C8H10 106.17 144 -25.2 0.897 Insoluble 2.57 32
p-Xylene 106-42-3 C8H10 106.17 138.4 13.3 0.861 Insoluble 2.27 27