CAS No.540-36-3,1,4-Difluorobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	540-36-3
Name:	1,4-Difluorobenzene
Article Data:	99

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

Synthetic route

: 455-17-4
(p-fluorophenyl)trimethylsilane

A: 420-56-4
trimethylsilyl fluoride

B: 540-36-3
para-difluorobenzene

Conditions

Conditions	Yield
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

Conditions	Yield
at 160 - 170℃; Glovebox;	A 5% B 95% C 83% D 10%

...Expand

: 100-25-4
para-dinitrobenzene

: 540-36-3
para-difluorobenzene

Conditions

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

: C6H4FN2(1+)*C8BF18(1-)

A: 540-36-3
para-difluorobenzene

B: 1516885-18-9
C8HF15

C: 85794-30-5
C8F14

D: C8BF17

Conditions

Conditions	Yield
at 90 - 95℃;	A 90% B 4% C 3% D 5%

...Expand

: 459-45-0
4-fluorobenzenediazonium tetrafluoroborate

: 540-36-3
para-difluorobenzene

Conditions

Conditions	Yield
at 158 - 160℃;	86%

: 1765-93-1
4-fluoroboronic acid

: 540-36-3
para-difluorobenzene

Conditions

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

Conditions	Yield
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

Conditions	Yield
at 140 - 145℃;	A 79% B 85%

: 106-50-3
1,4-phenylenediamine

: 540-36-3
para-difluorobenzene

Conditions

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-)

: 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

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

...Expand

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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, Harmful Xn, Toxic 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.