1-Chloro-3-fluorobenzene

Base Information

• Chemical Name: 1-Chloro-3-fluorobenzene
• CAS No.: 625-98-9
• Molecular Formula: C6H4ClF
• Molecular Weight: 130.549
• Hs Code.: 29039990
• European Community (EC) Number: 210-919-0
• NSC Number: 10271
• DSSTox Substance ID: DTXSID70870717
• Nikkaji Number: J95.440C
• Wikidata: Q72450500
• Mol file: 625-98-9.mol

Synonyms:1-Chloro-3-fluorobenzene;625-98-9;3-Chlorofluorobenzene;m-Chlorofluorobenzene;Benzene, 1-chloro-3-fluoro-;3-Fluorochlorobenzene;m-Fluorochlorobenzene;1-Chloro-3-fluoro-benzene;1-Fluoro-3-chlorobenzene;MFCD00000569;NSC10271;m-fluoro chlorobenzene;3-fluoro-chlorobenzene;3-fluoro-1-chlorobenzene;SCHEMBL165706;DTXSID70870717;1-Chloro-3-fluorobenzene, 99%;BENZENE,1-CHLORO,3-FLUORO;NSC-10271;AKOS000120022;AM61599;PS-11968;FT-0607617;EN300-21385;W-104987;F8880-8320

Chemical Property of 1-Chloro-3-fluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 13.5mmHg at 25°C
• Melting Point: <-78 °C
• Refractive Index: n20/D 1.494(lit.)
• Boiling Point: 127.4 °C at 760 mmHg
• Flash Point: 20 °C
• PSA: 0.00000
• Density: 1.236 g/cm³
• LogP: 2.47910
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.9985560
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-3-fluorobenzene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-33-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC(=C1)Cl)F
• Uses: 1-Chloro-3-fluorobenzene used as medicine and liquid crystal intermediates.

Technology Process of 1-Chloro-3-fluorobenzene

There total 36 articles about 1-Chloro-3-fluorobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

3-chloro-aniline (108-42-9) → 3-chlorofluorobenzene (625-98-9)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 80 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 91.9%

2-chloro-6-fluorobenzaldehyde (387-45-1) → 3-chlorofluorobenzene (625-98-9)

Guidance literature:

With potassium hydroxide; water; at 95 ℃; for 2 - 3h;

Reference yield: 83.0%

2-fluoro-4-chloroaniline (57946-56-2) → 3-chlorofluorobenzene (625-98-9)

Guidance literature:

With sodium hydrogensulfite; sodium nitrite; In ethanol; water; acetic acid; at 24 ℃; for 2h;

DOI:10.1016/S0040-4039(01)01027-9

upstream raw materials:

2-chloro-6-fluorobenzaldehyde

3-Nitrochlorobenzene

2,3-dichlorofluorobenzene

2-chloro-2,3,3-trifluoro-1-vinylcyclobutane

Downstream raw materials:

2-chloro-4-fluoro-1-nitrobenzene

6-Fluor-4-chlor-benzol-disulfonsaeure-(1,3)-dichlorid

3,3'-difluoro-biphenyl

4,4'-Dimethoxybiphenyl

Refernces

• 1、 Amin, Hawraz I.M.,Raviola, Carlotta,Amin, Ahmed A.,Mannucci, Barbara,Protti, Stefano,Fagnoni, Maurizio. "Hydro/deutero deamination of arylazo sulfones under metal and (photo)catalyst-free conditions". . . Retrieved 2019/06/19.
• 2、 -. "PROCESS FOR THE PREPARATION OF ORGANIC HALIDES". Paragraph 00146. . Retrieved 2017/08/01.