4-Bromo-N,N-dimethylaniline

Structural formula

Business number	05YS
Molecular formula	C8H10BRN
Molecular weight	200.08
label	p-bromodimethylaniline, N,N-dimethyl-p-bromoaniline, P-Bromo-2-methyl aniline, N, N-methyl-2-bromo-aniline, pharmaceutical intermediates, Aniline compounds, Aromatic amines and nitro compounds, Nitrogen-containing compounds

• 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:586-77-6

MDL number:MFCD0000093

EINECS number:209-582-2

RTECS number:BW9300000

BRN number:2206155

PubChem number:24850266

Physical property data

1. Character:Foliated crystals. Sensitive to light.

2. Density (g/mL,25/4 ℃): Undetermined

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

4. Melting point (ºC ): 55

5. Boiling point (ºC,Normal pressure): 264

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

Molar refractive index: 48.25

2, Molar volume (m³/mol):143.6

3, Isotonic specific volume (90.2K ): 359.7

4, Surface tension (dyne/ cm): 39.3

5、 Polarizability (10^-24cm³): 19.13

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 95.4

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen bromide.

Storage method

This product should be sealed and stored away from light.

Synthesis method

None yet

Purpose

Organic synthesis.

2 id=”js”>Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 95.4

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen bromide.

Storage method

This product should be sealed and stored away from light.

Synthesis method

None yet

Purpose

Organic synthesis.