5-bromosalicylic acid
Structural formula
| Business number | 020U |
|---|---|
| Molecular formula | C7H5BrO3 |
| Molecular weight | 217.02 |
| label |
5-bromo-2-hydroxybenzoic acid, 5-Bromo-2-hydroxybenzoic acid, BrC6H3-2-(OH)CO2H |
Numbering system
CAS number:89-55-4
MDL number:MFCD00002455
EINECS number:201-917-0
RTECS number:VO1850000
BRN number:2209121
PubChem number:24869910
Physical property data
1. Properties: White crystals or slightly yellowish needle crystals.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 168～169
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: easily soluble in ethanol, ether and heat Water, slightly soluble in cold water.
Toxicological data
Main irritant effects:
On skin: Irritation to skin and mucous membranes.
On eyes: Irritation effects
Sensitization: No known sensitizing effects.
Ecological data
General remarks
Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 42.75
2. Molar volume (cm3/mol): 116.5
3. Isotonic specific volume (90.2K ): 334.9
4. Surface tension (dyne/cm): 68.1
5. Polarizability (10-24cm3): 16.94
Compute chemical data
1�� Reference value for hydrophobic parameter calculation (XlogP): 3.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecular polar surface area (TPSA): 57.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 160
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
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Properties and stability
None
Storage method
This product should be sealed and stored away from light.
Synthesis method
None
Purpose
Used in organic synthesis.