| Identification | More | [Name]
4-Bromo-3-methylbenzoic acid | [CAS]
7697-28-1 | [Synonyms]
3-methyl-4-bromobenzoic acid
4-BROMO-3-METHYLBENZOIC ACID
4-BROMO-M-TOLUIC ACID
RARECHEM AL BO 1293
4-Bromo-3-methyl | [EINECS(EC#)]
231-713-7 | [Molecular Formula]
C8H7BrO2 | [MDL Number]
MFCD00039526 | [Molecular Weight]
215.04 | [MOL File]
7697-28-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
212-216 °C(lit.) | [Boiling point ]
311.4±30.0 °C(Predicted) | [density ]
1.599±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [pka]
4.04±0.10(Predicted) | [color ]
Yellow to orange to tan | [BRN ]
2356649 | [InChI]
InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) | [InChIKey]
KWVXDZLVCISXIB-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(Br)C(C)=C1 | [CAS DataBase Reference]
7697-28-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Synthesis]
A suspension of 4-Amino-3-methylbenzoic acid (73 g, 0.483 mol) in water (411 mL) and 47percent HBr (486 mL) was stirred at 25 ℃ for 1 h and then the reaction mixture was cooled to -2 ℃. A solution of sodium nitrate (32 g, 0.463 mol) in water (100 mL) was added to the reaction mixture over 15 min, maintaining the temperature at -1 ℃ to -2°C. The reaction mixture was stirred at -1 ℃ to -2 ℃ for 1.5h. The reaction mixture was added slowly to a suspension of copper(l)bromide (73 g, 0.508 mol) in water (73 mL) and aqueous HBr (73 mL). The reaction mixture was stirred at 250C for 1 h and then digested at 70 °C for 1 h. The solid was filtered, washed with water till the pH of the filtrate was 7 and dried to obtain 4-Bromo-3-methylbenzoic acid.
| [References]
[1] Patent: WO2006/51477, 2006, A2. Location in patent: Page/Page column 54
[2] American Chemical Journal, 1881, vol. 3, p. 431
[3] Patent: US5409928, 1995, A |
|
|