ChemicalBook--->CAS DataBase List--->402-43-7

402-43-7

402-43-7 Structure

402-43-7 Structure
IdentificationMore
[Name]

4-Bromobenzotrifluoride
[CAS]

402-43-7
[Synonyms]

1-BROMO-4-(TRIFLUOROMETHYL)BENZENE
4-BROMO-1-TRIFLUOROMETHYLBENZENE
4-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
4-BROMOBENZOTRIFLUORIDE
4-BROMOTRIFLUOROTOLUENE
P-BROMO-A,A,A-TRIFLUOROTOLUENE
P-BROMOBENZOTRIFLUORIDE
P-BROMOTRIFLUOROMETHYLBENZENE
P-BROMOTRIFLUOROTOLUENE
1-bromo-4-(trifluoromethyl)-benzen
4-Trifluoromethylbromobenzene
Benzene,1-bromo-4-(trifluoromethyl)-
p-(Trifluoromethyl)bromobenzene
para-Bromobenzotrifluoride
p-Bromo-alpha,alpha,alpha-trifluorotoluene
Toluene, 1-bromo-alpha,alpha,alpha-trifluoro-
Toluene, p-bromo-alpha,alpha,alpha-trifluoro-
4-bormobenzotrifluoride
1-Bromo-4-(Trifluoromethyl)Benzene/P-Bormobenzotrifluoride
4-BromotrifluoromethylBenzene
[EINECS(EC#)]

206-943-6
[Molecular Formula]

C7H4BrF3
[MDL Number]

MFCD00000398
[Molecular Weight]

225.01
[MOL File]

402-43-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
[Boiling point ]

154-155 °C(lit.)
[density ]

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

n20/D 1.472(lit.)
[Fp ]

120 °F
[storage temp. ]

Flammables area
[solubility ]

Not miscible or difficult to mix.
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.607
[BRN ]

2045666
[InChI]

InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
[InChIKey]

XLQSXGGDTHANLN-UHFFFAOYSA-N
[SMILES]

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

402-43-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-4-(trifluoromethyl)-(402-43-7)
[EPA Substance Registry System]

402-43-7(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

N-Methyl-2-pyrrolidone (NMP) (50 mL) was added to 1-bromo-4-iodobenzene (1 equivalent, 1278 mg, 4.42 mmol), cuprous iodide (I) (1.5 equivalent, 1263 mg, 6.63 mmol), and 2-fluorosulfonyl difluoroacetic acid (5 equivalent, 4249 mg, 2.82 mL, 22.12 mmol). The brown reaction mixture was heated and stirred at 80°C for 16 hours under an argon atmosphere. The reaction mixture was diluted with diethyl ether (25 mL) and filtered through diatomaceous earth. Water was added to the filtrate, and the aqueous layer was extracted with diethyl ether (4 × 25 mL). The organic layer was washed with water (2 × 25 mL) and brine, dried over MgSO₄, and concentrated under reduced pressure.

Synthesis of 402-43-7

Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H226-H315-H319
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,F,Xn
[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 .
S36:Wear suitable protective clothing .
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 ]

Flammable
[TSCA ]

T
[REACH Registrations]

Inactive
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29036990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

Benzenecarbodithioic acid, 4-bromo-, methyl ester-->Benzene, 1-(difluorobromo)-4-(trifluoromethyl)--->Benzoyl fluoride, 4-bromo- (9CI)-->2-(4-bromophenyl)-2,2-difluoroacetic acid-->4-(Trifluoromethyl)phenylhydrazine hydrochloride
[Preparation Products]

2-MORPHOLINO-5-(TRIFLUOROMETHYL)BENZALDEHYDE-->4-Bromo-3-nitrobenzotrifluoride-->4-(TRIFLUOROMETHYL)DIPHENYL ETHER-->4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->4'-(TRIFLUOROMETHYL)PROPIOPHENONE-->Benzotrifluoride-->5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Bromo-4-(trifluoromethyl)benzene(402-43-7).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
[Uses]

4-Bromobenzotrifluoride is used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromobenzotrifluoride(402-43-7)MS
4-Bromobenzotrifluoride(402-43-7)1HNMR
4-Bromobenzotrifluoride(402-43-7)13CNMR
4-Bromobenzotrifluoride(402-43-7)IR1
4-Bromobenzotrifluoride(402-43-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromobenzotrifluoride, 99%(402-43-7)
[Alfa Aesar]

4-Bromobenzotrifluoride, 99%(402-43-7)
[Sigma Aldrich]

402-43-7(sigmaaldrich)
[TCI AMERICA]

4-Bromobenzotrifluoride,>98.0%(GC)(402-43-7)
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