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CAS No.: | 344-04-7 |
---|---|
Name: | Bromopentafluorobenzene |
Article Data: | 63 |
Molecular Structure: | |
Formula: | C6BrF5 |
Molecular Weight: | 246.962 |
Synonyms: | Benzene,bromopentafluoro- (6CI,8CI,9CI);NSC 21630;Pentafluorobromobenzene;Pentafluorophenylbromide; |
EINECS: | 206-449-0 |
Density: | 1.949 g/cm3 |
Melting Point: | -31 °C(lit.) |
Boiling Point: | 136.4 °C at 760 mmHg |
Flash Point: | 87.8 °C |
Solubility: | Insoluble in water. |
Appearance: | Clear colorless to very faintly colored liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 0.00000 |
LogP: | 3.14460 |
bromopentafluorobenzene
Conditions | Yield |
---|---|
With bromine In diethylene glycol dimethyl ether at 10℃; for 0.0833333h; | 100% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; boron trifluoride at 20℃; for 1h; | 96% |
With tris(pentafluorophenyl)borate; bromine; chlorine In chloroform at 30 - 35℃; for 2h; Reagent/catalyst; Solvent; Temperature; Large scale; | 93% |
With aluminum (III) chloride; bromine at 45℃; for 18h; | 90.5% |
Conditions | Yield |
---|---|
With bromine; cesium fluoride In acetonitrile at 20℃; for 3h; | 93% |
2,3,5,6-tetrafluorothiophenol
A
1-bromo-2,3,5,6-tetrafluorobenzene
B
bromopentafluorobenzene
Conditions | Yield |
---|---|
With bromine at 500 - 510℃; | A 87% B n/a |
Conditions | Yield |
---|---|
Stage #1: Hexafluorobenzene With iron(III)-acetylacetonate; ethylmagnesium bromide In tetrahydrofuran at -30℃; for 1.5h; Stage #2: With bromine In tetrahydrofuran at -30 - 20℃; | 83% |
Conditions | Yield |
---|---|
In diethyl ether reaction at 20°C, 1 hour;; | 69% |
In diethyl ether reaction at 20°C, 1 hour;; | 69% |
Conditions | Yield |
---|---|
With bromine at 500℃; | 68% |
Conditions | Yield |
---|---|
at 100°C in HBr; | 63% |
at 100°C in HBr; | 63% |
Pentafluorobenzene
A
bromopentafluorobenzene
B
3-H-pentafluoro-2,5-cyclohexadien-1-one
C
1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene
Conditions | Yield |
---|---|
With bromine trifluoride; antimony pentafluoride In fluorosulfonylchloride at -90 - -80℃; for 0.5h; | A 57% B 13% C 9% |
Pentafluorobenzene
A
bromopentafluorobenzene
C
1-bromoheptafluoro-1,4-cyclohexadiene
Conditions | Yield |
---|---|
With bromine trifluoride; boron trifluoride In fluorosulfonylchloride at -90 - -80℃; for 0.333333h; Title compound not separated from byproducts; | A 47% B 10 % Chromat. C 10 % Chromat. |
With bromine trifluoride; boron trifluoride In fluorosulfonylchloride at -90 - -80℃; for 0.333333h; | A 47 % Chromat. B 10% C 10 % Chromat. |
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Product Name: Bromopentafluorobenzene (CAS NO.344-04-7)
Molecular Formula: C6BrF5
Molecular Weight: 246.96g/mol
Mol File: 344-04-7.mol
EINECS: 206-449-0
Appearance: Clear colorless to very faintly colored liquid
Melting Point: -31 °C(lit.)
Boiling point: 136.4 °C at 760 mmHg
Flash Point: 87.8 °C
Density: 1.949 g/cm3
Refractive index: n20/D 1.449(lit.)
Index of Refraction: 1.448
Molar Refractivity: 33.91 cm3
Molar Volume: 126.6 cm3
Surface Tension: 28.7 dyne/cm
Enthalpy of Vaporization: 35.83 kJ/mol
Vapour Pressure: 9.17 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Bromopentafluorobenzene (CAS NO.344-04-7):
IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene
Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)F
InChI: InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates; Fluoro-Aromatics; Aryl; C6; Halogenated Hydrocarbons
Safety Information of Bromopentafluorobenzene (CAS NO.344-04-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
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.
WGK Germany: 3
RTECS: CY9040552
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT
HS Code: 29036990
Bromopentafluorobenzene , its CAS NO. is 344-04-7, the synonyms are Pentafluorophenyl bromide ; Benzene, 1-bromo-2,3,4,5,6-pentafluoro- ; Benzene, bromopentafluoro- .