Aldicarb

Structural formula

Business number	038F
Molecular formula	C7H14N2O2S
Molecular weight	190.27
label	Aldicarb (ironicide), Butyraldehyde oximecarb, 2-Methyl-2-methylthiopropionaldehyde-O-(N-methylcarbamoyl) oxime, iron breaker, Got to destroy Ke, Ambush, Temik, Aldecarb, Aldicarbe, 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxime, acaricides, Carbamate pesticides

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:116-06-3

MDL number:MFCD00041807

EINECS number:204-123-2

RTECS number:UE2275000

BRN number:2209304

PubChem number:24860193

Physical property data

1. Characteristics: White crystals with a sulfur smell.

2. Density (g/mL,20℃): 1.195

3. Relative vapor density (g/mL,Air =1): Undetermined

4. Melting point (ºC）：98~ 100

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC):2

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, 25ºC):0.133×10-4

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16.、 Molar refractive index: 42.94

2、 Moore Volume (m³/mol):160.2

3、 Isotonic specific volume (90.2K) ：73.7

4、 Surface Tension (dyne/cm):29.6

5、 Polarizability (10^-24cm³):17.02

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 180

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Does not decompose under normal temperature and pressure. Avoid contact with strong oxidants and strong alkali.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with corresponding varieties and
Amount of fire equipment. Suitable materials should be available in the storage area to contain spills. The management system for extremely toxic substances “five pairs “ should be strictly implemented.

Synthesis method

The dimerization reaction of isobutylene, sodium nitrite and hydrochloric acid produces 2-chlorine-2-methyl-1-nitrosopropane dimer. The dimer reacts with sodium methylthiolate to produce 2-methyl -2- (methylthio) propionaldehyde oxime . Finally, the oxime reacts with methyl isocyanate to prepare aldicarb.

Purpose

Used as agricultural pesticide.

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5、 Polarizability (10^-24cm³):17.02

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 180

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Does not decompose under normal temperature and pressure. Avoid contact with strong oxidants and strong alkali.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with corresponding varieties and
Amount of fire equipment. Suitable materials should be available in the storage area to contain spills. The management system for extremely toxic substances “five pairs “ should be strictly implemented.

Synthesis method

The dimerization reaction of isobutylene, sodium nitrite and hydrochloric acid produces 2-chlorine-2-methyl-1-nitrosopropane dimer. The dimer reacts with sodium methylthiolate to produce 2-methyl -2- (methylthio) propionaldehyde oxime . Finally, the oxime reacts with methyl isocyanate to prepare aldicarb.

Purpose

Used as agricultural pesticide.