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1,4-Difluorobenzene

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Name

1,4-Difluorobenzene

EINECS 208-742-9
CAS No. 540-36-3 Density 1.165 g/cm3
PSA 0.00000 LogP 1.96480
Solubility N/A Melting Point -13 °C
Formula C6H4F2 Boiling Point 90.4 °C at 760 mmHg
Molecular Weight 114.095 Flash Point 2.1 °C
Transport Information UN 1993 3/PG 2 Appearance Clear colorless to light yellow liquid
Safety 16-29-33-7-45-36/37-7/9 Risk Codes 11-20-39/23/24/25-23/24/25
Molecular Structure Molecular Structure of 540-36-3 (1,4-Difluorobenzene) Hazard Symbols FlammableF, HarmfulXn, ToxicT
Synonyms

Benzene,p-difluoro- (6CI,8CI);2,5-Difluorobenzene;NSC 10286;p-Difluorobenzene;

Article Data 99

1,4-Difluorobenzene Synthetic route

455-17-4

(p-fluorophenyl)trimethylsilane

A

420-56-4

trimethylsilyl fluoride

B

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
With xenon fluoride In dichloromethane Inert atmosphere;A n/a
B 100%
1516885-12-3

C6H4FN2(1+)*C6BF8(1-)

sodium fluoride

A

13755-29-8

sodium tetrafluoroborate

B

540-36-3

para-difluorobenzene

C

C6BF14(1-)*Na(1+)

D

C6BF14(1-)*Na(1+)

Conditions
ConditionsYield
at 160 - 170℃; Glovebox;A 5%
B 95%
C 83%
D 10%
100-25-4

para-dinitrobenzene

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 0.166667h; Inert atmosphere; Microwave irradiation;93%

C6H4FN2(1+)*C8BF18(1-)

A

540-36-3

para-difluorobenzene

D

C8BF17

Conditions
ConditionsYield
at 90 - 95℃;A 90%
B 4%
C 3%
D 5%
459-45-0

4-fluorobenzenediazonium tetrafluoroborate

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
at 158 - 160℃;86%
1765-93-1

4-fluoroboronic acid

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
Stage #1: 4-fluoroboronic acid With sodium hydroxide In methanol at 23℃; for 0.25h; Inert atmosphere;
Stage #2: With silver trifluoromethanesulfonate In methanol at 0℃; for 0.5h; Inert atmosphere;
Stage #3: With Selectfluor In acetone at 23℃; for 1h; Inert atmosphere; Molecular sieve; regiospecific reaction;
85%
Multi-step reaction with 2 steps
1: diethyl ether / 20 °C / Inert atmosphere; Molecular sieve
2: silver fluoride; (tBuCN)2Cu*OTf; 1-fluoro-2,4,6-trimethylpyridinium hexafluorophosphate / tetrahydrofuran / 18 h / 50 °C / Inert atmosphere
View Scheme
With potassium fluoride; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 20h; Sealed tube;
Multi-step reaction with 2 steps
1: potassium fluoride / acetonitrile / 16 h / 90 °C
2: 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate / chloroform / 6 h / 110 °C
View Scheme
1516885-15-6

C6H4FN2(1+)*C6BF16(1-)

A

329009-01-0

perfluorohexyldifluoroborane

B

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
at 110 - 115℃;A 85%
B 67%
1516885-16-7

C6H4FN2(1+)*C12BF28(1-)

A

540-36-3

para-difluorobenzene

B

1516885-19-0

C12BF27

Conditions
ConditionsYield
at 140 - 145℃;A 79%
B 85%
106-50-3

1,4-phenylenediamine

540-36-3

para-difluorobenzene

Conditions
ConditionsYield
With hydrogenchloride; tetrafluoroboric acid; sodium nitrite In water at 50℃; for 0.0166667h; Temperature; Large scale;83%
With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 120 deg C, 1 h;65%
With pyridine; hydrogen fluoride; sodium nitrite 1.) room temperature, 2.) 0 deg C, 3.) 120 deg C; Yield given. Multistep reaction;
1516885-16-7

C6H4FN2(1+)*C12BF28(1-)

sodium fluoride

A

13755-29-8

sodium tetrafluoroborate

B

540-36-3

para-difluorobenzene

C

1516885-26-9

C12BF28(1-)*Na(1+)

D

1516885-25-8

C12BF28(1-)*Na(1+)

Conditions
ConditionsYield
at 25 - 200℃; for 0.133333h; Glovebox;A 17%
B 81%
C 39%
D 33%

1,4-Difluorobenzene Chemical Properties

IUPAC Name: 1,4-Difluorobenzene
Synonyms of 1,4-Difluorobenzene (CAS NO.540-36-3): p-Difluorobenzene ; para-Difluorobenzene ; Benzene, 1,4-difluoro- ; Benzene, 1,4-difluoro- (9CI) ; Benzene, p-difluoro-
CAS NO: 540-36-3
Molecular Formula: C6H4F2
Molecular Weight : 114.0928
Molecular Structure:
EINECS: 208-742-9
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: Å2
Index of Refraction: 1.448
Molar Refractivity: 26.24 cm3
Molar Volume: 97.8 cm3
Melting Point: -13 °C
Surface Tension: 26.2 dyne/cm
Density: 1.165 g/cm3
Flash Point: 2.1 °C
Enthalpy of Vaporization: 31.77 kJ/mol
Boiling Point: 90.4 °C at 760 mmHg
Vapour Pressure: 63.6 mmHg at 25°C
Storage temp: Flammables area
Appearance: 1,4-Difluorobenzene (CAS NO.540-36-3) is clear colorless to light yellow liquid .
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Fluorobenzene;Aryl;C6;Halogenated Hydrocarbons;Method 8020;600 Series Wastewater Methods;8000 Series Solidwaste Methods;FluoroEPA;Method 624EPA;Alpha Sort;D;DAlphabetic;DID - DINChemical Class;Fluoro;Halogenated;Volatiles/ Semivolatiles

1,4-Difluorobenzene Uses

 1,4-Difluorobenzene (CAS NO.540-36-3) is used as intermediates of medicine, pesticide and liquid crystal .

1,4-Difluorobenzene Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 55gm/m3/2H (55000mg/m3) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. Vol. 3, Pg. 91, 1965.

1,4-Difluorobenzene Safety Profile

Hazard Codes:FlammableF,HarmfulXn,ToxicT
Risk Statements: 11-20-39/23/24/25
R11: Highly flammable. 
R20: Harmful by inhalation.
R39/23/24/25: Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
Safety Statements: 16-29-33-45-36/37-7/9
S7/9: Keep container tightly closed and in a well-ventilated place 
S16: Keep away from sources of ignition. 
S33:Take precautionary measures against static discharges. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37: Wear suitable protective clothing and gloves.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
RTECS: CZ5658000
Hazard Note: Highly Flammable
HazardClass: 3
PackingGroup: II
HS Code: 29036990 

1,4-Difluorobenzene Specification

Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Flammables-area.

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