R5, ACETONITRILE

R5, ACETONITRILE - 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

R5, ACETONITRILE - 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

R5, ACETONITRILE - Risk and Safety

Hazard Symbols	F - Flammable Xn - 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)

R5, ACETONITRILE - Upstream Downstream Industry

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

R5, ACETONITRILE - Nature

Open Data Verified Data

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.

Last Update：2024-01-02 23:10:35

R5, ACETONITRILE - Use

Open Data Verified Data

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.

Last Update：2022-01-01 09:24:55

R5, ACETONITRILE - Safety

Open Data Verified Data

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 ℃.

Last Update：2022-01-01 09:24:55

R5, ACETONITRILE - 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