methyl cyanoacetate CAS NO.105-34-0

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Chinese name methyl cyanoacetate

 English name Methyl cyanoacetate

chemical formula C4H5NO2

molecular weight 105-34-0, 99

CAS login on EINECS registration number 203-288-8

melting point 13.07

DHS boiling point 205.09 C  (DHS C and atmospheric pressure)

directory

1 basic information

Fishery numbering system

Fishery data

Student: squid molecular structure data

Zoon properties and stability

Stalfish toxicology data

Fishery ecological data

Zosterfield computes chemical data

2. Synthesis method

3 product use

4 security information

5 packaging storage and transportation

6 storage method

7 characterization map

Basic information editing

Numbering system

WinID: 02 rh

CAS no. : 105-34-0 [1]

MDL number: MFCD00001939

EINECS no. : 203-288-8

RTECS number: AG4375000

BRN no. : 773945 [2]

Physical property data

1. Properties: colorless to yellowish transparent liquid, flammable.Slightly fragrant.[2]

2. The density (g/mL, 25/4 ℃) : 1.1225

3. Relative vapor density (g/mL, air =1) : 3.41

4. Melting point (absolute C) : -13.07

The boiling point is up to 205.09

6. Index of refraction (25 is up and running C) : 1.41662

7. Viscosity (mPa·s,20 update C) : 2.793 [2]

Flash point: 110

9. Self-ignition point or ignition temperature (absolute C) : 475

10. The evaporation heat (KJ/mol,25 is absolute C) : 61.713

11. Combustion heat (KJ/mol,25 update C) : 1992.1

12. Conductivity (S/m) : 4.49 x 10-7

13. Solubility: slightly soluble in water and soluble in alcohol and ether.It can dissolve many kinds of salts.[2]

Molecular structure data

1. Molar refractive index: 22.26

2. Molar volume (cm3/mol) : 91.4

3. Isobaric capacity (90.2k) : 224.3

4. Surface tension (dyne/cm) : 36.2

6. Dipole distance (10-24cm3) :

7. Polarization rate: 8.82 [2]

Properties and stability

Avoid contact with oxidants.[2]

Not soluble in water.Mixed with ethanol and ether.Flammable, toxic.Use to prevent skin contact and inhalation of its steam.

Chemical properties: methyl cyanoacetate contains active methylene and can produce sodium derivatives.Polycondensation can occur with formaldehyde, acetaldehyde or other aldehydes and ketones.It's less acidic than phenol.Acid, water and alkali can be hydrolyzed.

2. This product has moderate toxicity.

The LD50 injected into guinea pigs by mouth and abdomen is between 400 and 800mg/kg.See cyanoacetic acid for protective measures.Operators should wear protective equipment.[2]

Toxicological data

1. Acute toxicity: mouse peritoneal cavity LD50:200mg/kg;Guinea pig skin contact LDLo: 400mg/kg;

2. It can be absorbed through the skin and cause skin inflammation.[2]

Ecological data

The substance is slightly harmful to water.[2]

Computational chemical data

1. Reference value of hydrophobic parameter calculation (XlogP) : none

2. Number of hydrogen bond donors :0 [2]

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :2

5. Number of tautomeric isomers: none

6. Topological polar molecular surface area 50.1

7. Number of heavy atoms :7

Surface charge :0

9. Complexity :110

10. Number of isotope atoms :0

11. Determine the number of atomic structure centers :0

12. Uncertain number of atomic structure centers :0

13. Determine the number of bond building centers :0

14. Uncertain number of bond building centers :0

15. Number of covalent bond units :1 [2]

compositing

First, chloroacetic acid reacts with sodium cyanide, which is esterified with methanol.

Second, chloroacetic acid was esterified with methanol and then reacted with sodium cyanide.

Product use

Purpose 1 this product is an intermediate of organic synthesis, medicine and dye.[2] mainly used in the manufacture of adhesives (such as medical adhesives 2-cyano-methyl acrylate), vitamin B6, acrylonitrile, etc.A similar process can be obtained with ethyl acetate, cyanide, butyl acetate, mainly used as adhesives, cyanoacrylate quick-drying glue, can be used for medicine or automobile parts, household electric appliances assembly of adhesive.

Application 2: intermediate of organic synthesis, medicine and dye, and preparation of artificial - cyano-acrylate transient dry adhesive

USES 3 cyanide methyl acetate and ethyl acetate, cyanide is also an important intermediate of pesticide, the preparation of 2 - amino - 4, 6 - dimethoxy pyrimidine could be used in the preparation of sulfonylurea herbicide, and pharmaceutical intermediates 2 - cyano methacrylate.

Security information editing

Dangerous transport code: UN 3276 6.1/PG 3

Dangerous goods mark: stimulation

Safety mark: s24/25 [2]

WGK Germany 1

RTECS AG4375000 no.

Hazard Note Irritant

Hazard Class 6.1 (b)

PackingGroup III

Customs code 29269095

3. Banned additives: strong oxidizer, strong reducing agent, strong acid and strong alkali

Avoid contact with moist air

5. Polymerization harms non-polymerization [2]

6. Cyanide decomposition product