ChemicalBook--->CAS DataBase List--->452-62-0

452-62-0

452-62-0 Structure

452-62-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromo-4-fluorotoluene(452-62-0).msds
Hazard InformationBack 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]

Isobutyl nitrite

542-56-3

2-Bromo-4-methylaniline

583-68-6

3-Bromo-4-fluorotoluene

452-62-0

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
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-4-fluorotoluene(452-62-0)1HNMR
3-Bromo-4-fluorotoluene(452-62-0)FT-IR
3-Bromo-4-fluorotoluene(452-62-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromo-4-fluorotoluene(452-62-0)
[Alfa Aesar]

3-Bromo-4-fluorotoluene, 99%(452-62-0)
[Sigma Aldrich]

452-62-0(sigmaaldrich)
[TCI AMERICA]

3-Bromo-4-fluorotoluene,>98.0%(GC)(452-62-0)
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