| Identification | More | [Name]
3-Bromo-4-fluorotoluene | [CAS]
452-62-0 | [Synonyms]
3-BROMO-4-FLUOROTOLUENE
3-Bromo-4-fluorotoluene,99%
2-BROMO-1-FLUORO-4-METHYLBENZENE
Benzene, 2-bromo-1-fluoro-4-methyl-
3-Bromo-4-fluorotoluene 99%
3-Bromo-4-flurotoluene | [EINECS(EC#)]
207-201-4 | [Molecular Formula]
C7H6BrF | [MDL Number]
MFCD00040827 | [Molecular Weight]
189.02 | [MOL File]
452-62-0.mol |
| Chemical Properties | Back Directory | [Appearance]
colorless to light yellow liqui | [Boiling point ]
169 °C/756 mmHg (lit.) | [density ]
1.507 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.531(lit.)
| [Fp ]
164 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.52 | [BRN ]
1680604 | [InChI]
InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3 | [InChIKey]
QLRKALMVPCQTMU-UHFFFAOYSA-N | [SMILES]
C1(F)=CC=C(C)C=C1Br | [CAS DataBase Reference]
452-62-0(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29039990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
colorless to light yellow liqui | [Uses]
3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene. | [Synthesis]
Example 4: 84 g of 2-bromo-4-methylaniline and 54.5 g of isobutyl nitrite were slowly added dropwise through two dropping funnels, respectively, to a solution of 160 g of dimethoxyethane containing 37 g of boron trifluoride and 10.3 g of hydrogen fluoride at a temperature of -5°C to 0°C (the dropping process lasted for 1 hour). After the dropwise addition, the reaction mixture was continued to be stirred at 0°C for 15 min, followed by diafiltration. The resulting crystalline diazonium salt was washed with 50 mL of pre-cooled dimethoxyethane and then dried under vacuum at room temperature. A diazonium salt product of 122.5 g was obtained in a yield of 86% of the theoretical value. The decomposition reaction was carried out according to the method of Example 6, resulting in 3-bromo-4-fluorotoluene in 92.4% yield of the theoretical value. | [References]
[1] Patent: US4476320, 1984, A |
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