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452-74-4

452-74-4 Structure

452-74-4 Structure
IdentificationMore
[Name]

4-Bromo-3-fluorotoluene
[CAS]

452-74-4
[Synonyms]

3-FLUORO-4-BROMO-TOLUENE
4-BROMO-3-FLUOROTOLUENE
4-Bromo-3-fluorotoluene,98+%
4-Bromo-3-fluorotoluene 98%
4-Bromo-3-fluoro-1-methylbenzene
4-Bromo-3-flurotoluene
3-FLUORO-4-BROMO-TOLUONE
[EINECS(EC#)]

629-423-4
[Molecular Formula]

C7H6BrF
[MDL Number]

MFCD00040940
[Molecular Weight]

189.02
[MOL File]

452-74-4.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to light yellow liqui
[Boiling point ]

95 °C/50 mmHg (lit.)
[density ]

1.494 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.53(lit.)
[Fp ]

95 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear light yellow
[Specific Gravity]

1.494
[BRN ]

2500154
[InChI]

InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
[InChIKey]

SLFNGVGRINFJLK-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=C(C)C=C1F
[CAS DataBase Reference]

452-74-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H227-H226-H315-H319-H335
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P280a-P405-P501a-P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
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 .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29039990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Fluoro-4-methylphenylboronic acid-->2-Fluoro-4-methylaniline-->4-(BROMOMETHYL)-2-FLUOROBENZONITRILE-->5-BROMO-4-FLUORO-2-METHYLANILINE-->4-Bromo-5-fluoro-2-nitrotoluene-->tert-Butyl ((3-aminobenzo[d]isoxazol-6-yl)methyl)carbamate-->tert-butyl N-[(3-amino-1H-indazol-6-yl)methyl]carbamate
Hazard InformationBack Directory
[Chemical Properties]

colorless to light yellow liqui
[Uses]

4-Bromo-3-fluorotoluene is used in the synthesis of S-trityl-L-cysteine based inhibitors that show potent antitumor activity in lung cancer models. Chemical reagent for organic synthesis.
[General Description]

4-Bromo-3-fluorotoluene (1-bromo-2-fluoro-4-methylbenzene) is an aryl fluorinated building block. Synthesis of 4-bromo-3-fluorotoluene from o-nitro-p-toluidine (Fast Red Base GL), via diazo reaction at high temperature, Sandmeyer reaction, reduction and Schiemann reaction has been reported. Its density and refractive index have been determined.
[Synthesis]

the preparation method of a 4-Bromo-3-fluorotoluene, it is characterized in that: 4-amino-3-toluene fluoride hydrobromate, Hydrogen bromide, water drips Sodium Nitrite/water down at-10-10 ℃ and carries out diazotization, reaction solution joins in cuprous bromide/hydrobromic solution, and bromination under the normal temperature was reacted 0.5-2 hour, separate, purifying obtains target product 4-Bromo-3-fluorotoluene.
[References]

[1] Method for preparing 4-bromine-3-fluorine methylbenzene. CN1274650C
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-3-fluorotoluene(452-74-4)MS
4-Bromo-3-fluorotoluene(452-74-4)1HNMR
4-Bromo-3-fluorotoluene(452-74-4)13CNMR
4-Bromo-3-fluorotoluene(452-74-4)IR
4-Bromo-3-fluorotoluene(452-74-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromo-3-fluorotoluene, 98%(452-74-4)
[Alfa Aesar]

4-Bromo-3-fluorotoluene, 98%(452-74-4)
[Sigma Aldrich]

452-74-4(sigmaaldrich)
[TCI AMERICA]

4-Bromo-3-fluorotoluene,>98.0%(GC)(452-74-4)
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