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| CAS No.: | 540-36-3 |
|---|---|
| Name: | 1,4-Difluorobenzene |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4F2 |
| Molecular Weight: | 114.095 |
| Synonyms: | Benzene,p-difluoro- (6CI,8CI);2,5-Difluorobenzene;NSC 10286;p-Difluorobenzene; |
| EINECS: | 208-742-9 |
| Density: | 1.165 g/cm3 |
| Melting Point: | -13 °C |
| Boiling Point: | 90.4 °C at 760 mmHg |
| Flash Point: | 2.1 °C |
| Appearance: | Clear colorless to light yellow liquid |
| Hazard Symbols: |
 F,  Xn,  T
|
| Risk Codes: | 11-20-39/23/24/25-23/24/25 |
| Safety: | 16-29-33-7-45-36/37-7/9 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.96480 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 455-17-4
(p-fluorophenyl)trimethylsilane
A
- 420-56-4
trimethylsilyl fluoride
B
- 540-36-3
para-difluorobenzene
| Conditions | Yield |
|---|---|
| With xenon fluoride In dichloromethane Inert atmosphere; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| at 160 - 170℃; Glovebox; | A 5% B 95% C 83% D 10% |
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 0.166667h; Inert atmosphere; Microwave irradiation; | 93% |
| Conditions | Yield |
|---|---|
| at 90 - 95℃; | A 90% B 4% C 3% D 5% |
| Conditions | Yield |
|---|---|
| at 158 - 160℃; | 86% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 110 - 115℃; | A 85% B 67% |
| Conditions | Yield |
|---|---|
| at 140 - 145℃; | A 79% B 85% |
| Conditions | Yield |
|---|---|
| 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-)
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 | Yield |
|---|---|
| at 25 - 200℃; for 0.133333h; Glovebox; | A 17% B 81% C 39% D 33% |
- Total:28 Page 1 of 1 1
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Chemistry
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
Uses
1,4-Difluorobenzene (CAS NO.540-36-3) is used as intermediates of medicine, pesticide and liquid crystal .
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. |
Safety Profile
Hazard Codes:
F,
Xn,
T
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
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.