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Acrylonitrile

Acrylonitrile structure

CAS No:
107-13-1
Formula:
C3H3N
Chemical Name:
Acrylonitrile
Synonyms:
2-Propenenitrile;Acrylonitrile;Acrylon;Carbacryl;Cyanoethylene;Fumigrain;Propenenitrile;VCN;Vinyl cyanide;Ventox;Cyanoethene;NSC 6362;29754-21-0;63908-52-1;769126-92-3;769134-66-9;1006710-56-0;1197872-06-2;1221168-60-0;1309882-90-3;1538611-90-3;2015239-29-7
Categories:
Organic Chemistry > Nitrile Compound

Description

Colorless to pale-yellow liquid with an unpleasant odor. [Note: Odor can only be detected above the PEL.]

Acrylonitrile is an organic compound with the formula CH2CHCN. It is a colorless volatile liquid, although commercial samples can be yellow due to impurities. In terms of its molecular structure, it consists of a vinyl group linked to a nitrile. It is an important monomer for the manufacture of useful plastics such as polyacrylonitrile. It is reactive and toxic at low doses.

Acrylonitrile Basic Attributes

Molecular Weight：

53.06

Exact Mass：

53.06

BRN：

605310

EC Number：

203-466-5

HScode：

2926100000

Characteristics

PSA：

23.8

XLogP3：

0.25

Appearance：

Clear Liquid

Density：

0.8004 g/cm³ @ Temp: 25 °C

Melting Point：

-82 °C

Boiling Point：

77.3 °C @ Press: 760 Torr

Flash Point：

32 °F

Refractive Index：

1.385

Water Solubility：

H2O: soluble . 7.45 g/100 mL

Storage Conditions：

2-8°C

Vapor Pressure：

86 mm Hg ( 20 °C)

Vapor Density：

1.83 (vs air)

Toxicity：

Oral-Rat LD50: 78 mg/kg;Oral-Mouse LD50: 27 mg/kg

Flammability characteristics：

It is flammable in case of open flame, high temperature and oxidant; burning produces toxic nitrogen oxide fumes; decomposing toxic gas in water

Explosive limit：

2.8-28%(V)

Odor：

Practically odorless, or with a very slight odor of peach kernels

PH：

pH = 6.0-7.5

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1093 3/PG 1

wgk germany：

hazard class code：

45-11-23/24/25-37/38-41-43-51/53-39/23/24/25-62-63

safety instructions：

53-9-16-45-61-36/37

RTECS Number：

AT5250000

Marks：

F,T,N,Xn

Storage features：

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

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable under recommended storage conditions.

Precautionary statement(s)：

P201-P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H350-H370

RIDADR：

UN 1093

Toxicity

Toxicity class：

highly toxic

Acrylonitrile Use and Manufacturing

Methods of Manufacturing

The preparation method mainly uses the propylene ammoxidation method, using propylene, ammonia and oxygen in the air as raw materials, and reacts in the presence of a catalyst. The catalyst is mainly a compound containing phosphorus, molybdenum, and bismuth, and the mole of propylene, ammonia, and air The ratio is 1: (1 to 1.2): (1.8 to 2.3), the reaction temperature is 400 to 500°C, the reaction pressure is normal pressure, and the reactor is a fluidized bed. Reaction equation: CH2=CH2-CH3+NH3+3/2O2→CH2=CH-CN+3H2O The single-pass yield of acrylonitrile in this reaction is 60%-75%.

Uses

Manufacture of acrylic fibers.In the plastics, surface coatings, and adhesives industries.As a chemical intermediate in the synthesis of antioxidants, pharmaceuticals, dyes, surface-active agents, etc.In organic synthesis to introduce a cyanoethyl group.As a modifier for natural polymers.As a pesticide fumigant for stored grain.Experimentally to induce adrenal hemorrhagic necrosis in rats.

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	BPX-5	540.	30.	isothermal	12. m/0.15 mm/0.25 μm, H2	Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal	Capillary	BPX-5	544.	30.	isothermal	12. m/0.15 mm/0.25 μm, H2	Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal	Capillary	CP Sil 5 CB	496.4	20.	isothermal	25. m/0.15 mm/2. μm, H2	Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary columnJ. Chromatogr.1992, 591, 1-2, 297-301.
Kovats' RI, non-polar column, isothermal	Capillary	PoraPLOT Q	476.	100.	isothermal	10. m/0.32 mm/10. μm, H2	Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary columnJ. Chromatogr.1989, 481, 45-54.
Kovats' RI, non-polar column, isothermal	Capillary	PoraPLOT Q	482.	160.	isothermal	10. m/0.32 mm/10. μm, H2	Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary columnJ. Chromatogr.1989, 481, 45-54.

Computed Properties

Molecular Weight:53.06
XLogP3:0.2
Hydrogen Bond Acceptor Count:1
Exact Mass:53.026549100
Monoisotopic Mass:53.026549100
Topological Polar Surface Area:23.8
Heavy Atom Count:4
Complexity:54.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

334705-70-3

122146-98-9

442198-12-1

107-12-0

118798-90-6

Material

Propylene

Magnesite

Acetic acid

Propane

Oxygen

Ammonium sulfate

Price Analysis

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Data: 2026-09-04
Price: 11333.33Yuan/mt
Change: 100.0

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