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1765-40-8

1765-40-8 Structure

1765-40-8 Structure
IdentificationMore
[Name]

PENTAFLUOROBENZYL BROMIDE
[CAS]

1765-40-8
[Synonyms]

2,3,4,5,6-PENTAFLUOROBENZYL BROMIDE
A-BROMO-2,3,4,5,6-PENTAFLUOROTOLUENE
ALPHA-BROMO-2,3,4,5,6-PENTAFLUOROTOLUENE
(BROMOMETHYL)PENTAFLUOROBENZENE
PENTAFLUOROBENZYL BROMIDE
PENTAFLUOROBROMOMETHYL BENZENE
PFBBR
1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzene
1-Bromomethylpentafluorobenzene
Toluene, alpha-bromo-2,3,4,5,6-pentafluoro-
ALPHA-BROMO-2 3 4 5 6-PENTAFLUORO-TOLU&
2,3,4,5,6-PENTAFLUOROBENZYL BROMIDE 99%
Pentafluorobenzylbromide,98+%
Benzene, (bromomethyl)pentafluoro-
à-bromo-2,3,4,5,6-pentafluorotoluene
Pentafluorobenzyl bromide 99%
Pentafluorobenzylbromide99%
2,3,4,5,6-PentafluorobenzylBrimide
2,3,4,5,6-Pentafluorobenzyl bromide, 98+%
2,3,4,5,6-Pentafluorobenzyl bromide, 99+%
[EINECS(EC#)]

217-182-4
[Molecular Formula]

C7H2BrF5
[MDL Number]

MFCD00000299
[Molecular Weight]

260.99
[MOL File]

1765-40-8.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO YELLOWISH LIQUID
[Melting point ]

19-20 °C(lit.)
[Boiling point ]

174-175 °C(lit.)
[density ]

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

n20/D 1.471(lit.)
[Fp ]

181 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.728
[Water Solubility ]

Hydrolyzes in water.
[Sensitive ]

Lachrymatory
[BRN ]

647808
[InChI]

1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
[InChIKey]

XDEPVFFKOVDUNO-UHFFFAOYSA-N
[SMILES]

Fc1c(F)c(F)c(CBr)c(F)c1F
[CAS DataBase Reference]

1765-40-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, (bromomethyl)pentafluoro-(1765-40-8)
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 ]

C,Xi
[Risk Statements ]

R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36/37:Irritating to eyes and respiratory system .
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[F ]

19
[Hazard Note ]

Irritant/Lachrymatory
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29039990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

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

Bromine-->Phosphorus pentoxide-->ULTRAVIOLETLIGHT-->2,3,4,5,6-Pentafluorotoluene
[Preparation Products]

2,3,4,5,6-Pentafluorophenylacetonitrile-->Pentafluorobenzyl chloride-->2-(Fluorosulfonyl)difluoroacetyl fluoride
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO YELLOWISH LIQUID
[Uses]

Learn more in the Product Information
[Uses]

2,3,4,5,6-Pentafluorobenzyl bromide is used as a reagent for derivatization of alcohols, carboxylic acids, sulfonamides for GC and polyfunctional thiols. It is used for the preparation of pentafluorobenzyl esters of organic acids for determination by capillary and GC. It is also used to derivatize N-7-substituted guanine adducts of DNA for determination by GC-electron capture-MS.
[Uses]

Pentafluorobenzyl bromide (PFB-Br) is an alkylating reagent which can be used to modify hydroxyl groups, carboxyl groups, sulfhydryl groups, and amines.PFB-Br can also be used to measure nitrite and peroxynitrite.It is a versatile reagent.
[Definition]

ChEBI: Pentafluorobenzyl bromide is a member of the class benzyl bromides that is benzyl bromide in which the hydrogens at positions 2, 3, 4, 5 and 6 of the phenyl ring are replaced by fluoro groups. It is a versatile derivatization agent in chromatography and mass spectrometry. It is a member of benzyl bromides and a member of fluorobenzenes.
[General Description]

Pentafluorobenzyl bromide (PFB-Br) is a derivatization reagent. Excess reagent may be removed by reaction with an aminophenol. It is an alkylation reagent suitable for electron capture detector (ECD) detection. It is also a lachrymator.
[reaction suitability]

reagent type: derivatization reagent
reaction type: Alkylations
reagent type: derivatization reagent
reaction type: Esterifications
Spectrum DetailBack Directory
[Spectrum Detail]

α-Bromo-2,3,4,5,6-pentafluorotoluene(1765-40-8)MS
α-Bromo-2,3,4,5,6-pentafluorotoluene(1765-40-8)1HNMR
α-Bromo-2,3,4,5,6-pentafluorotoluene(1765-40-8)IR1
α-Bromo-2,3,4,5,6-pentafluorotoluene(1765-40-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha-Bromo-2,3,4,5,6-pentafluorotoluene, 97%(1765-40-8)
[Alfa Aesar]

2,3,4,5,6-Pentafluorobenzyl bromide, 98+%(1765-40-8)
[Sigma Aldrich]

1765-40-8(sigmaaldrich)
[TCI AMERICA]

Pentafluorobenzyl Bromide,>98.0%(GC)(1765-40-8)
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