3-Chloro-5-fluorotoluene

Base Information

• Chemical Name: 3-Chloro-5-fluorotoluene
• CAS No.: 93857-90-0
• Molecular Formula: C7H6 Cl F
• Molecular Weight: 144.576
• Hs Code.: 2903999090
• European Community (EC) Number: 299-224-1
• DSSTox Substance ID: DTXSID80239795
• Nikkaji Number: J317.702E
• Wikidata: Q83122268
• Mol file: 93857-90-0.mol

Synonyms:3-Chloro-5-fluorotoluene;1-chloro-3-fluoro-5-methylbenzene;93857-90-0;EINECS 299-224-1;3-CHLORO-5-FLUORO TOLUENE;SCHEMBL7925127;5-CHLORO-3-FLUOROTOLUENE;DTXSID80239795;FKHVWXNPDWQSIT-UHFFFAOYSA-N;1-chloro-3-fluoro-5-methyl-benzene;MFCD03265298;AKOS006345224;AB13848;AS-30447;CS-0188796;FT-0642252;A844724;J-504507

Chemical Property of 3-Chloro-5-fluorotoluene

Chemical Property:

• Vapor Pressure: 3.2mmHg at 25°C
• Boiling Point: 159.8°Cat760mmHg
• Flash Point: 50.8°C
• PSA: 0.00000
• Density: 1.186g/cm³
• LogP: 2.78750
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.0142060
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-5-fluorotoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)Cl)F

Technology Process of 3-Chloro-5-fluorotoluene

There total 3 articles about 3-Chloro-5-fluorotoluene 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:

3-methyl-5-nitro-aniline (618-61-1) → 1-chloro-3-fluoro-5-methylbenzene (93857-90-0)

Guidance literature:

Multi-step reaction with 3 steps

2: 12.3 g / H₂ / 5percent Pt/C / methanol / 1 h / 2068.6 Torr

3: 1.) concd. HCl, aq. NaNO₂, 2.) CuCl / 1.) H₂O, 0-5 deg C, 10 min, 2.) 60 deg C, 5 min

With hydrogenchloride; hydrogen; copper(l) chloride; sodium nitrite; platinum on activated charcoal; In methanol;

Reference yield:

1-fluoro-3-methyl-5-nitrobenzene (499-08-1) → 1-chloro-3-fluoro-5-methylbenzene (93857-90-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 12.3 g / H₂ / 5percent Pt/C / methanol / 1 h / 2068.6 Torr

2: 1.) concd. HCl, aq. NaNO₂, 2.) CuCl / 1.) H₂O, 0-5 deg C, 10 min, 2.) 60 deg C, 5 min

With hydrogenchloride; hydrogen; copper(l) chloride; sodium nitrite; platinum on activated charcoal; In methanol;

Reference yield:

3-fluoro-5-methylaniline (52215-41-5) → 1-chloro-3-fluoro-5-methylbenzene (93857-90-0)

Guidance literature:

With hydrogenchloride; copper(l) chloride; sodium nitrite; Yield given. Multistep reaction; 1.) H₂O, 0-5 deg C, 10 min, 2.) 60 deg C, 5 min;

upstream raw materials:

3-fluoro-5-methylaniline

3-methyl-5-nitro-aniline

1-fluoro-3-methyl-5-nitrobenzene

Downstream raw materials:

2-chloro-6-fluoro-4-methylbenzaldehyde

5-Amino-1-[3-chloro-4-(4-chloro-benzoyl)-5-fluoro-benzyl]-1H-[1,2,3]triazole-4-carboxylic acid amide

(4-Bromomethyl-2-chloro-6-fluoro-phenyl)-(4-chloro-phenyl)-methanone

Refernces