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1,3-Dichloro-4-fluorobenzene

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Name

1,3-Dichloro-4-fluorobenzene

EINECS 215-858-3
CAS No. 1435-48-9 Density 1.403 g/cm3
PSA 0.00000 LogP 3.13250
Solubility insoluble in water Melting Point -23 °C
Formula C6H3Cl2F Boiling Point 178.2 °C at 760 mmHg
Molecular Weight 164.994 Flash Point 36.7 °C
Transport Information UN 1993 3/PG 3 Appearance Clear colourless to yellow liquid
Safety 36/37-61-16-36-26 Risk Codes 22-38-48/20/22-51/53-10-36/37/38
Molecular Structure Molecular Structure of 1435-48-9 (1,3-Dichloro-4-fluorobenzene) Hazard Symbols HarmfulXn,IrritantXi,DangerousN
Synonyms

1-Fluoro-2,4-dichlorobenzene;2,4-Dichloro-1-fluorobenzene;2,4-Dichlorofluorobenzene;2,6-Dichloro-3-fluorophenyl;1,3-Dichloro-4-fluorobenzene;

Article Data 16

1,3-Dichloro-4-fluorobenzene Synthetic route

554-00-7

2,4-Dichloroaniline

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
Stage #1: 2,4-Dichloroaniline With hydrogenchloride; fluoroboric acid; sodium nitrite In water at 25℃; for 0.00555556h; Balz-Schiemann Reaction;
Stage #2: In 1,2-dichloro-benzene at 190℃; for 0.0166667h; Balz-Schiemann Reaction;
93%
Stage #1: 2,4-Dichloroaniline With sodium tetrafluoroborate; sodium nitrite acidic conditions;
Stage #2: at 150 - 170℃; Schieman reaction; Further stages.;
120-82-1

1,2,4-Trichlorobenzene

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With potassium fluoride; 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene In sulfolane at 185℃; for 5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;92%
350-30-1

3-chloro-4-fluoronitrobenzene

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With chlorine at 170 - 180℃; for 8h; Temperature;91.7%
Multi-step reaction with 2 steps
1: titanium (III)-chloride; water
2: aqueous HCl / Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuCl
View Scheme
29084-76-2

2,4-dichloroaniline hydrochloride

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
Stage #1: 2,4-dichloroaniline hydrochloride With hydrogenchloride at -5℃;
Stage #2: With tetrafluoroboric acid; sodium nitrite In water at 0℃; for 0.0833333h;
50.1%
367-21-5

3-chloro-4-fluorophenylamine

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With hydrogenchloride Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuCl;
70-34-8

2,4-Dinitrofluorobenzene

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With chlorine at 200℃;
36556-50-0

2,3-dichlorofluorobenzene

A

1435-49-0

3,4-dichlorofluorobenzene

B

625-98-9

3-chlorofluorobenzene

C

348-59-4

1,4-dichloro-2-fluorobenzene

D

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
In acetonitrile for 10h; Product distribution; Irradiation;A 5 % Chromat.
B 5 % Chromat.
C 13 % Chromat.
D 1 % Chromat.
68716-47-2

2,4-dichlorophenylboronic acid

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With cesium fluoroxysulphate In methanol at -10℃; for 24h;28 % Spectr.

(N-B)-Perhydro-2-(2,4-dichlorophenyl)-6-methyl-1,3-dioxa-6-aza-2-boracine

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
With meta-dinitrobenzene; cesium fluoroxysulphate In acetonitrile Ambient temperature;40 % Spectr.
462-06-6

fluorobenzene

iron-powder

iron-powder

A

1435-49-0

3,4-dichlorofluorobenzene

B

352-33-0

1-Chloro-4-fluorobenzene

C

1435-48-9

1,3-dichloro-4-fluorobenzene

Conditions
ConditionsYield
Einleiten von 2 Mol Chlor;

1,3-Dichloro-4-fluorobenzene Specification

The 1,3-Dichloro-4-fluorobenzene, with the CAS registry number 1435-48-9, is also known as 1,3-Dichloro-4-fluorobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Fluorobenzene; Chlorine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 406-160-1. This chemical's molecular formula is C6H3Cl2F and formula weight is 164.99. What's more, its IUPAC name is 2,4-dichloro-1-fluorobenzene. It is a Clear colourless to yellow liquid.

Physical properties of 1,3-Dichloro-4-fluorobenzene are:
(1)ACD/LogP:  3.643; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.64; (4)ACD/LogD (pH 7.4):  3.64; (5)ACD/BCF (pH 5.5):  345.61; (6)ACD/BCF (pH 7.4):  345.61; (7)ACD/KOC (pH 5.5):  2284.13; (8)ACD/KOC (pH 7.4):  2284.13; (9)#H bond acceptors:  0; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  0; (12)Index of Refraction:  1.525; (13)Molar Refractivity:  36.037 cm3; (14)Molar Volume:  117.545 cm3; (15)Surface Tension:  35.1139984130859 dyne/cm; (16)Density:  1.404 g/cm3; (17)Flash Point:  36.667 °C; (18)Enthalpy of Vaporization:  39.746 kJ/mol; (19)Boiling Point:  178.176 °C at 760 mmHg; (20)Vapour Pressure:  1.35300004482269 mmHg at 25°C.

Uses of 1,3-Dichloro-4-fluorobenzene:
it can be used to produce N-(2,4-dichloro-phenoxy)-acetimidic acid ethyl ester at the temperature of 80°C. It will need reagent t-BuOK and solvent dimethylformamide with the reaction time of 1.5 hours. The yield is about 77.8%.

Safety information of 1,3-Dichloro-4-fluorobenzene:
When you are using this chemical, please be cautious about it as the following:It is harmful if swallowed. It can cause danger of serious damage to health by prolonged exposure through inhalation and if swallowed. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is flammable and is irritating to eyes, respiratory system and skin. When using it, you must wear suitable protective clothing and gloves. It should be avoided release to the environment refering to special instructions/safety data sheet. You need keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)F
(2)InChI: InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
(3)InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N

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