ChemicalBook > CAS DataBase List > 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID
5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID
- Product Name
- 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID
- CAS No.
- 1077-94-7
- Chemical Name
- 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID
- Synonyms
- 5-BroMo-1H-indazole-3-car...;5-Bromo-3-carboxy-1H-indazole;5-BROMOINDAZOLE-3-CARBOXYLIC ACID;5-BROMO-3-INDAZOLECARBOXYLIC ACID;5-broMo-1H-indazol-3-carboxylic acid;5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID;5-bromobenzopyrazole-3-carboxylic acid;1H-INDAZOLE-3-CARBOXYLIC ACID, 5-BROMO-
- CBNumber
- CB7719134
- Molecular Formula
- C8H5BrN2O2
- Formula Weight
- 241.04
- MOL File
- 1077-94-7.mol
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5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID Property
- Melting point:
- 289-292°C
- Boiling point:
- 493.4±25.0 °C(Predicted)
- Density
- 1.946±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 2.81±0.30(Predicted)
- form
- solid
- color
- Off-white
- InChI
- InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
- InChIKey
- AMJVXOOGGBPVCZ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(Br)C=C2)C(C(O)=O)=N1
- CAS DataBase Reference
- 1077-94-7(CAS DataBase Reference)
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Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22
- Safety Statements
- 22-26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933998090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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N-Bromosuccinimide Price
TRC
- Product number
- B683773
- Product name
- 5-Bromo-1H-indazole-3-carboxylicacid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
TRC
- Product number
- B683773
- Product name
- 5-Bromo-1H-indazole-3-carboxylicacid
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
TRC
- Product number
- B683773
- Product name
- 5-Bromo-1H-indazole-3-carboxylicacid
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
SynQuest Laboratories
- Product number
- 4H21-9-01
- Product name
- 5-Bromo-1H-indazole-3-carboxylic acid
- Purity
- 98%
- Packaging
- 250mg
- Price
- $56
- Updated
- 2021/12/16
Biosynth Carbosynth
- Product number
- FB56350
- Product name
- 5-Bromo-1H-indazole-3-carboxylic acid
- Packaging
- 1g
- Price
- $150
- Updated
- 2021/12/16
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5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID Chemical Properties,Usage,Production
Uses
5-Bromo-1H-indazole-3-carboxylic acid an important chemical product. It is mainly used as a raw material in chemical synthesis for the preparation of other compounds. Its derivative 5-Bromo-1H-indazole-3-carboxylic acid ethyl ester can be used as a protein kinase inhibitor, which can be used for the treatment and prevention of diseases.
Synthesis
4498-67-3
1077-94-7
Step 1: Indazole-3-carboxylic acid (CXXXI) (1.0 g, 6.16 mmol) was suspended in glacial acetic acid (60 mL) and heated to 120 °C until a clear solution was formed. The solution was then cooled to 90 °C. A solution of bromine (0.633 mL, 12.33 mmol) in glacial acetic acid (2 mL) was slowly added dropwise to the solution at 90 °C. After addition, the reaction continued to be heated at 90 °C for 16 hours. After completion of the reaction, the solution was cooled to room temperature and poured into ice water and stirred at room temperature for 15 minutes. The precipitated solid was filtered, washed with cold water and dried under vacuum at room temperature to afford 5-bromo-1H-indazole-3-carboxylic acid (CXXXII) as a white solid (1.30 g, 5.39 mmol, 87.5% yield). The product was characterized by 1H NMR (DMSO-d6): δ 13.95 (s, 1H), 13.18 (br s, 1H), 8.21 (d, J = 1.2 Hz, 1H), 7.65 (d, J = 7.0 Hz, 1H), 7.56 (dd, J = 7.0, 1.2 Hz, 1H); ESIMS m/z 242.0 ([M + H]+. (calculated value C8H4BrN2O2).
References
[1] Patent: US2015/266825, 2015, A1. Location in patent: Paragraph 1359; 1360
[2] Patent: WO2018/75858, 2018, A1. Location in patent: Paragraph 0371; 0372
[3] Patent: CN107573327, 2018, A. Location in patent: Paragraph 0067; 0068; 0069; 0070
[4] Patent: US2005/90529, 2005, A1. Location in patent: Page/Page column 84-85
[5] Chemische Berichte, 1922, vol. 55, p. 1141,1157
5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID manufacturers
Zhengzhou Anbu Chem Co.,Ltd
- Product
- 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID 1077-94-7
- Price
- US $0.00/KG
- Min. Order
- 0.10000000149011612KG
- Purity
- 98%
- Supply Ability
- 1000KGS
- Release date
- 2025-09-12
Henan Aochuang Chemical Co.,Ltd.
- Product
- 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID 1077-94-7
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-14
Shaanxi Dideu Medichem Co. Ltd
- Product
- 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID 1077-94-7
- Price
- US $0.10/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10
- Release date
- 2024-07-07
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