| Identification | More | [Name]
5-Bromo-2-methylbenzoic acid | [CAS]
79669-49-1 | [Synonyms]
2-METHYL-5-BROMOBENZOIC ACID
5-BROMO-2-METHYLBENZOIC ACID
5-Bromo-o-toluic acid
5-Bromo-o-toluicacid(COOH=1)
5-BROMO-2-METHYLBENZOIC ACID,98% | [EINECS(EC#)]
628-605-0 | [Molecular Formula]
C8H7BrO2 | [MDL Number]
MFCD00267350 | [Molecular Weight]
215.04 | [MOL File]
79669-49-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
167-171°C | [Boiling point ]
319.4±30.0 °C(Predicted) | [density ]
1.599±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
3.48±0.25(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) | [InChIKey]
SEENCYZQHCUTSB-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(Br)=CC=C1C | [CAS DataBase Reference]
79669-49-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29163900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Solid | [Uses]
5-Bromo-2-methylbenzoic acid is a pharmaceutical intermediate. | [Synthesis]
In a reaction vessel equipped with a mechanical stirrer, a solution of 2-methylbenzoic acid (10.00 g, 73.45 mmol, 1.0 equivalent) in concentrated sulfuric acid (15 mL) at room temperature, bromine (17.6 g, 110.14 mmol, 1. 5 equivalents) was added dropwise over 10 minutes and stirred at 25 ° C. for 20 hours. The reaction solution was injected into ice water (60 ml), and the precipitated solid was filtered, washed with water (20 mL), and air-dried at 60 ° C. overnight to obtain a bromo compound (15.2 g, 97%, addition rate: 95.7).5-Br body / 3-Br body = 62: 38). The obtained crude bromo compound (3 g) was dissolved in ethanol (9 mL) at 70 ° C., cooled to 20 ° C., and stirred at the same temperature for 30 minutes at 10 ° C. or lower for 3 hours. The precipitated crystals were filtered and air-dried at 60 ° C. overnight to obtain 5-Bromo-2-methylbenzoic acid(1.19 g, 5-Br / 3-Br = 91: 9, total yield: 38.5%).
 | [References]
[1] Patent: CN103980263, 2016, B. Location in patent: Paragraph 0034 |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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