Products Categories
CAS No.: | 540-36-3 |
---|---|
Name: | 1,4-Difluorobenzene |
Article Data: | 99 |
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 |
(p-fluorophenyl)trimethylsilane
A
trimethylsilyl fluoride
B
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 |
C6H4FN2(1+)*C6BF16(1-)
A
perfluorohexyldifluoroborane
B
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; |
C6H4FN2(1+)*C12BF28(1-)
A
sodium tetrafluoroborate
B
para-difluorobenzene
C
C12BF28(1-)*Na(1+)
D
C12BF28(1-)*Na(1+)
Conditions | Yield |
---|---|
at 25 - 200℃; for 0.133333h; Glovebox; | A 17% B 81% C 39% D 33% |
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 (CAS NO.540-36-3) is used as intermediates of medicine, pesticide and liquid crystal .
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. |
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
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.