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CAS No.: | 2629-68-7 |
---|---|
Name: | 1,4-BIS(CHLORODIFLUOROMETHYL)BENZENE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H4Cl2F4 |
Molecular Weight: | 247.019 |
Synonyms: | a,a'-Dichloro-a,a,a',a'-tetrafluoro-p-xylene;p-Xylene, a,a'-dichloro-a,a,a',a'-tetrafluoro- (7CI,8CI);p-Bis(chlorodifluoromethyl)benzene; |
EINECS: | 700-265-9 |
Density: | 1.467 g/cm3 |
Melting Point: | 11-12 °C |
Boiling Point: | 208.136 °C at 760 mmHg |
Flash Point: | 92.667 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 4.26280 |
Conditions | Yield |
---|---|
With chlorine at 60℃; under 760.051 Torr; for 1.66667h; Time; Temperature; Reagent/catalyst; Irradiation; | 99.49% |
With chlorine In tetrachloromethane Irradiation; | |
With chlorine; dibenzoyl peroxide In tetrachloromethane at 80℃; for 9h; Reagent/catalyst; Solvent; Temperature; |
1,4-bis(trichloromethyl)benzene
A
1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene
B
1,4-bis-(difluorochloromethyl)-benzene
C
1-fluorodichloromethyl-4-difluorochloromethyl-benzene
Conditions | Yield |
---|---|
With hydrogen fluoride In 1,2-dichloro-ethane at 45℃; under 2280.15 Torr; for 10h; | A 3.3% B n/a C 4% |
Conditions | Yield |
---|---|
With chlorine In tetrachloromethane |
Conditions | Yield |
---|---|
Stage #1: thiophenol With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride Stage #2: 1,4-bis-(difluorochloromethyl)-benzene | 70% |
1,4-bis-(difluorochloromethyl)-benzene
phenol
1,4-bis(difluorophenoxymethyl)benzene
Conditions | Yield |
---|---|
Stage #1: phenol With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride Stage #2: 1,4-bis-(difluorochloromethyl)-benzene | 65% |
With 1-methyl-pyrrolidin-2-one; sodium methylate at 100℃; for 8h; Reagent/catalyst; Temperature; Inert atmosphere; | 48.7% |
1,4-bis-(difluorochloromethyl)-benzene
A
1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
Conditions | Yield |
---|---|
With zinc In N,N-dimethyl acetamide at 100℃; for 4h; Substitution; | A 60.5% B 6% |
1,4-bis-(difluorochloromethyl)-benzene
1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
Conditions | Yield |
---|---|
With potassium iodide; zinc In N,N-dimethyl acetamide at 120 - 142℃; for 6h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; | 45.7% |
With lithium aluminium tetrahydride; titanium tetrachloride In tetrahydrofuran Heating; | 22% |
1,4-bis-(difluorochloromethyl)-benzene
α,α'-dibromo-α,α,α',α'-tetrafluoro-p-xylene
1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
Conditions | Yield |
---|---|
With calcium chloride; zinc In N,N-dimethyl acetamide at 120 - 140℃; for 4h; Catalytic behavior; Reagent/catalyst; | 31.4% |
1,4-bis-(difluorochloromethyl)-benzene
A
1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
Conditions | Yield |
---|---|
With aluminium In N,N-dimethyl-formamide at 0 - 20℃; for 50h; | A 22% B 20% |
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Following is the structure of 1,4-Bis[chloro(difluoro)methyl]benzene (CAS NO.2629-68-7):
Empirical Formula: C8H4Cl2F4
Molecular Weight: 247.017 g/mol
Molar Refractivity: 45.58 cm3
Molar Volume: 168.3 cm3
Density: 1.467 g/cm3
Flash Point: 92.7 °C
Melting point: 11-12 °C
Index of Refraction: 1.453
Surface Tension: 25.8 dyne/cm
Enthalpy of Vaporization: 42.63 kJ/mol
Boiling Point of 1,4-Bis[chloro(difluoro)methyl]benzene (CAS NO.2629-68-7): 208.1 °C at 760 mmHg
Vapour Pressure of 1,4-Bis[chloro(difluoro)methyl]benzene (CAS NO.2629-68-7): 0.313 mmHg at 25 °C
SMILES: FC(Cl)(F)c1ccc(cc1)C(Cl)(F)F
InChI: InChI=1/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKey: ZFNDPTMROCQNRJ-UHFFFAOYAX
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.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
1,4-Bis[chloro(difluoro)methyl]benzene , its cas register number is 2629-68-7. It also can be called Benzene, 1,4-bis(chlorodifluoromethyl)- .