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1,4-Bis(chlorodifluoromethyl)benzene
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Name

1,4-Bis(chlorodifluoromethyl)benzene

 EINECS 700-265-9
CAS No. 2629-68-7 Density 1.467 g/cm3
PSA 0.00000 LogP 4.26280
Solubility N/A Melting Point 11-12 °C
Formula C8H4Cl2F4 Boiling Point 208.136 °C at 760 mmHg
Molecular Weight 247.019 Flash Point 92.667 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2629-68-7 (1,4-BIS(CHLORODIFLUOROMETHYL)BENZENE) Hazard Symbols IrritantXi
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;

Article Data 8

1,4-Bis(chlorodifluoromethyl)benzene Synthetic route

369-54-0

p-bis(difluoromethyl)benzene

2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

Conditions
ConditionsYield
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;
68-36-0

1,4-bis(trichloromethyl)benzene

A

13947-94-9

1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene

B

2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

C

13947-95-0

1-fluorodichloromethyl-4-difluorochloromethyl-benzene

Conditions
ConditionsYield
With hydrogen fluoride In 1,2-dichloro-ethane at 45℃; under 2280.15 Torr; for 10h;A 3.3%
B n/a
C 4%
369-54-0

p-bis(difluoromethyl)benzene

A

dichloro-tetrafluoro-p-xylene

B

2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

Conditions
ConditionsYield
With chlorine In tetrachloromethane
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

108-98-5

thiophenol

3200-14-4

C20H14F4S2

Conditions
ConditionsYield
Stage #1: thiophenol With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride
Stage #2: 1,4-bis-(difluorochloromethyl)-benzene		70%
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

108-95-2

phenol

1154741-12-4

1,4-bis(difluorophenoxymethyl)benzene

Conditions
ConditionsYield
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%
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

A

3345-29-7

1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane

B

(Z)-2,3,8,8,9,9-Hexafluoro-tricyclo[8.2.2.24,7]hexadeca-1(13),2,4(16),5,7(15),10(14),11-heptaene

Conditions
ConditionsYield
With zinc In N,N-dimethyl acetamide at 100℃; for 4h; Substitution;A 60.5%
B 6%
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

3345-29-7

1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane

Conditions
ConditionsYield
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%
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

651-12-7

α,α'-dibromo-α,α,α',α'-tetrafluoro-p-xylene

3345-29-7

1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane

Conditions
ConditionsYield
With calcium chloride; zinc In N,N-dimethyl acetamide at 120 - 140℃; for 4h; Catalytic behavior; Reagent/catalyst;31.4%
2629-68-7

1,4-bis-(difluorochloromethyl)-benzene

A

3345-29-7

1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane

B

dodecafluoro[2,2]paracyclophane

Conditions
ConditionsYield
With aluminium In N,N-dimethyl-formamide at 0 - 20℃; for 50h;A 22%
B 20%

1,4-Bis(chlorodifluoromethyl)benzene Chemical Properties

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

1,4-Bis(chlorodifluoromethyl)benzene Safety Profile

Hazard Codes: IrritantXi
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(chlorodifluoromethyl)benzene Specification

 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)- .

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