dimethylaminoborane

Structural formula

Business number	111Q
Molecular formula	C2H10BN
Molecular weight	58.92
label	dimethylaminoborane, Borane dimethylamine complex, Borane dimethylamine, dimethylamine boron, Boron Hydride Dimethylamine, Dimethylamine compound with borane, Dimethylamineborane

• 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:74-94-2

MDL number:MFCD00051068

EINECS number:200-823-7

RTECS number:IP9450000

BRN number:None

PubChem number:24850856

Physical property data

1. Character: white–Yellow solid

2. Density (g/mL,20℃): 0.69

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

4. Melting point (ºC):33 -37

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

6. Boiling point (ºC,5.2kPa):59-65

7. Refractive Index: Undetermined

8. Flash Point (ºC): 65

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC):175

11. Vapor pressure (mbar,70ºC): 5.3

12. saturated vapor pressure (kPa,60ºC) Undetermined:

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient (water): Undetermined

17. Explosion limit (%, V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in water125g/L(20 ºC)

Toxicological data

1, acute toxicity: rat subcutaneously LD50: 3mg/ kg; mice orally LD: >1mg/kg; mice intravenously LDLo: 50mg/kg; pigeons intravenously LDLo: 2080mg/kg; subcutaneous contact in frogsLDLo: 110mg/kg; dermal contact in rabbitsLD50: 210mg/kg; rabbit intraperitoneally LD50: 35100μg/kg; Guinea pig oral LDLo: 50mg/kg ; Guinea pig transperitoneal LD50: 55900μg/kg.

2, mutagenicity

DNAInhibiting ascites tumors in mice: 100μmol/ L;

Mutation of mouse ascites tumor: 100μmol/L;

Ecological data

Mildly hazardous to water, avoid contact of undiluted or large quantities of product with groundwater, waterways or sewage systems.

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 3.2

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 13.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain chemical bond stereocenterQuantity: 0

15. Number of covalent bond units: 1

Properties and stability

With strong oxidizing agents, Acid, oxygen, heavy metal reactions.

Sensitive to water and air.

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 and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

Used for reductive alkylation of proteins.

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