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Acetonitrile, cyanomethane, Methyl cyanide, R5, ACETONITRILE, ACETONITRILE GRADIENT,  75-05-8 

Acetonitrile, cyanomethane, Methyl cyanide, R5, ACETONITRILE, ACETONITRILE GRADIENT,  75-05-8 

Acetonitrile

CAS: 75-05-8

Molecular Formula: C2H3N

Names and Identifiers

Name Acetonitrile
Synonyms AN
Acetonitrile
cyanomethane
Methyl cyanide
R5, ACETONITRILE
ACETONITRILE GRADIENT
Acetonitrile solution
MOBILE PHASE ACETONITRILE
acetonitrile for uv-spectroscopy
phosphoramidite diluent for pharmacia
acetonitrile absolute over molecular sieve (H2O)
CAS 75-05-8
EINECS 200-835-2
InChI InChI=1/C2H3N/c1-2-3/h1H3

Physico-chemical Properties

Molecular Formula C2H3N
Molar Mass 41.05
Density 0.7857
Melting Point -46℃
Boling Point 81-82℃
Flash Point 2℃
Water Solubility miscible
Vapor Presure 72.8 mm Hg ( 20 °C)
Vapor Density 1.41 (vs air)
Appearance Morphological liquid, color <10(APHA)
pKa 25(at 25℃)
Storage Condition Store at +5°C to +30°C.
Stability Stability Unstable. Incompatible with alkali metals, acids, bases, reducing agents and oxidizing agents. Highly flammable.
Refractive Index 1.343
Physical and Chemical Properties

density 0.7857
melting point -46°C
boiling point 81-82°C
refractive index 1.343-1.345
flash point 2°C
water-soluble miscible

Use For the extraction of nitrile rubber monomer, pharmaceutical and carbon

Risk and Safety

Hazard Symbols F - Flammable
Flammable
Xn - Harmful
Harmful
Risk Codes R11 - Highly Flammable
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36 - Irritating to the eyes
Safety Description S16 - Keep away from sources of ignition.
S36/37 - Wear suitable protective clothing and gloves.
UN IDs UN 1648
WGK Germany 2
RTECS AL7700000
FLUKA BRAND F CODES 9
TSCA Yes
HS Code 29269095
Hazard Class 3
Packing Group II
Toxicity LD50 orally in rats: 3800 mg/kg (Smyth)

Upstream Downstream Industry

Raw Materials Acrylonitrile
Ammonia
Downstream Products Acetamidine hydrochloride
Ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate

Nature

colorless transparent liquid. It is miscible with water, diethyl ether, methanol, acetone, chloroform, carbon tetrachloride, vinyl chloride, methyl acetate, ethyl acetate, acetamide solution and many unsaturated hydrocarbons, and is not miscible with saturated hydrocarbons. Can dissolve some inorganic salts, such as silver nitrate, lithium nitrate and magnesium bromide. It can form an azeotropic mixture with water (water content 16%), and the azeotropic point is 76. Flammable, its vapor and air can form an explosive mixture, in the case of open flame, high heat or contact with the oxidant, there is a risk of combustion explosion. A strong reaction with an oxidizing agent can occur. With sulfuric acid, fuming sulfuric acid, chlorosulfonic acid, perchlorate reaction intense.

Use

standard substance for chromatographic analysis. It can be used as a solvent for high pressure liquid chromatography (HPLC) and a stationary liquid for gas chromatography. Solvents for most inorganic compounds, spectrophotometric determination and non-aqueous titration solvents. Determination of carboxyl group as a diluent. Recrystallization of steroids, extraction of fatty acids, etc.

Safety

rats were orally administered with LD50:3800mg/kg. Keep away from fire, heat source, flammable and combustible materials, and prevent direct sunlight. Avoid mixing with oxidants, reductants, acids and alkalis. Warehouse temperature should not exceed 30 ℃.

Uses and synthesis methods

Production method

there are many production methods of acetonitrile, among which industrial production mainly includes acetic acid ammoniation, acetylene ammoniation and propylene ammoxidation by-product. 1. Acetic acid ammonification method uses acetic acid and ammonia as raw materials, under the action of aluminum oxide catalyst, at 360-420 ℃, the reaction is carried out, acetonitrile is synthesized in one step, and the reaction liquid is absorbed and rectified to obtain the finished product. Raw material consumption quota: acetic acid (98%)1763 kg/t, liquid ammonia (99.5%)691 kg/t. 2. Acetylene ammonification method uses acetylene and ammonia as raw materials, aluminum oxide catalyst, and one-step reaction to synthesize acetonitrile at 500-600 ℃. Raw material consumption quota: acetylene 10231 m3, liquid ammonia (99.4%)1007 kg/t. 3. Propylene ammoxidation by-product method uses propylene, ammonia and air as raw materials to synthesize acrylonitrile through a catalyst, and at the same time by-product acetonitrile. Each ton of acrylonitrile can produce 25-100kg of acetonitrile by-product. 4. It is obtained by dehydration of acetamide and phosphorus pentoxide. 5. It is obtained by the reaction of dimethyl sulfate and sodium cyanide.

Acetonitrile is usually the by-product of acrylonitrile prepared by ammoxidation method. It can also be synthesized by acetic acid ammonification method, using alumina as catalyst, and reacting at 360 ℃ in one step. Reaction equation: CH3COOH + NH3[Al2O3]& rarr;CH3CN + 2H2O

Category

Flammable liquids

Toxicity grading

Highly toxic

Acute toxicity

oral-rat LD50: 2730 mg/kg; Oral-mouse LD50: 269 mg/kg

Stimulation data

skin-rabbit 500 mg mild; eyes-rabbit 79 mg/24 hours moderate

Explosive hazard characteristics

Blowing with air

flammability hazard characteristics

Flammable in case of open flame, high temperature and oxidant; heat decomposition releases highly toxic cyanide and nitrogen oxide smoke

storage and transportation characteristics

The warehouse is ventilated and dry at low temperature; stored separately from oxidants and acids

Fire extinguishing agent

Dry powder, dry sand, dry stone powder, carbon dioxide, foam

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