5-Bromoindole-2-carboxylic acid CAS: 7254-19-5
Basic Information:
Product Name:5-Bromoindole-2-carboxylic acid
Synonyms:5-BROMO-1H-INDOLE-2-CARBOXYLIC ACID;NSC 73384;
AKOS JY2082545;5-Bromo-2-carboxy-1H-indole;5-BROMOINDOLE-2-CARBOXYLIC
ACID;5-BROMO-2-INDOLECARBOXYLIC ACID;5-Bromoindazole-2-carboxylic
acid;5-Bromoindole-2-carboxylicAcid>5-BroMo-1H-indol-2-carboxylic acid;5-Bromoindole-2-carboxylic acid ,98%
CAS number: 7254-19-5
CB Number:CB0242185
Molecular Formula: C9H6BrNO2
Molecular Weight:240.05
MDL Number:MFCD00022705
MOL File:7254-19-5.mol
Structural formula：
Density: 1.838g/cm3
Melting point: 287-288ºC
Boiling point: 470.932ºC at 760 mmHg
Flash point: 238.611ºC
Refractive index: 1.749
Storage condition: -20ºC
Accurate mass 238.958176
PSA 53.09000
LogP 3.17
Appearance solid;
Vapor pressure 0.0±1.2 mmHg at 25°C
Refractive index 1.749
Storage conditions −20°C
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :2
3. Number of hydrogen bond receptors :2
4. Number of rotatable chemical bonds :1
5. Number of tautomers :5
6. Topological molecular polar surface area :53.1
7. Number of heavy atoms :13
8. Surface charge :0
9. Complexity :222
10. Number of isotope atoms :0
11. Determine the number of protonic centers :0
12. Number of uncertain atomic stereocentes :0
13. Determine the number of chemical bond structure centers :0
14. Number of uncertain chemical bond stereocenter :0
15. Number of covalent bond units :1LogP 3.17
First aid measure
suction
If inhaled, remove the patient to fresh air. If you stop breathing, give artificial respiration.
Skin contact
Rinse with soap and plenty of water.
Eye contact
Rinse your eyes with water as a precaution.
ingestion
Do not feed anything from the mouth to an unconscious person. Rinse your mouth with water.
Main symptoms and effects, acute and late effects
To the best of our knowledge, this chemical, physical and toxic property has not been fully studied.
Instructions and instructions for prompt medical treatment and required special treatment
No data
Risk terminology
Not hazardous substances or mixtures according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS).
Operational handling and storage
Precautions for safe operation
Provide suitable exhaust equipment where dust is generated.
Safe storage conditions, including any incompatibilities
Store in a cool place. Keep containers tightly closed and store in a dry, ventilated place.
Specific purpose: No data
Recommended storage temperature: -20 °C
Packed in 25kg/drum, or packed according to customer needs.
It is an ester organic matter, which can be used as a pharmaceutical intermediate. Ethyl 5-bromoindole-2-carboxylate is one of the most common aromatic heterocyclic structures and synthetic blocks, widely existing in natural products and human physiological active substances, and is also an important structural unit commonly found in medicine and functional materials, known as the dominant structure.
