Home Cart 0 Sign in  

[ CAS No. 452-75-5 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

type HazMat fee
Excepted Quantity Free
Ground (Domestic only) Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
2D
Chemical Structure| 452-75-5
Chemical Structure| 452-75-5
Structure of 452-75-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 452-75-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 452-75-5 ]

SDS

Product Details of [ 452-75-5 ]

CAS No. :452-75-5MDL No. :MFCD00000571
Formula :C7H6ClFBoiling Point :156.7°C at 760 mmHg
Linear Structure Formula :ClFC6H3CH3InChI Key :N/A
M.W :144.57Pubchem ID :520630
Synonyms :

Computed Properties of [ 452-75-5 ]

TPSA : 0 H-Bond Acceptor Count : 1
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 452-75-5 ]

Signal Word:DangerClass3
Precautionary Statements:P261-P305+P351+P338UN#:1993
Hazard Statements:H226-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 452-75-5 ]

  • Upstream synthesis route of [ 452-75-5 ]

[ 452-75-5 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1063716-83-5 ]
  • [ 452-75-5 ]
YieldReaction ConditionsOperation in experiment
82%
Stage #1: With Selectfluor In acetonitrile at 50℃; for 0.50 h;
Stage #2: With pyridine In acetonitrile at 23℃;
[00605] To l-Chloromethyl-4-fluoro-l ,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (42.5 mg, 0.120 mmol, 1.20 equiv) in acetonitrile (3.0 mL) at 500C is added aryl palladium complex 4k (68.9 mg, 0.100 mmol, 1.00 equiv) portionwise over 10 min. The reaction mixture is stirred at 500C for 20 min. After cooled to 23 0C, to the reaction mixture is added pyridine (8.1 μL, 0.10 mmol, 1.0 equiv). After concentrated in vacuo, the residue is purified by preparative TLC eluting with pentane/Et2ψ 9:1 (v/v) to afford 11.9 mg of the title compound as colorless oil (82percent yield). R/= 0.72 (hexane/EtOAc 9:1 (v/v)). NMR Spectroscopy: 1H NMR (500 MHz, CDCl3, 23 0C, δ): 7.13-7.08 (dd, /= 7.5 Hz, 7.0 Hz, 2H), 7.05-7.01 (m, 2H). 13C NMR (125 MHz, CDCl3, 23 0C, δ): 161.3 (d, / = 246 Hz), 132.3, 132.2 (d, / = 5.9 Hz), 124.3, 123.6 (d, / = 17 Hz), 116.0 (d, / = 26 Hz), 14.4. 19F NMR (375 MHz, CDCl3, 23 0C, δ): -115.1. These spectroscopic data correspond to those of authentic sample purchase from Alfa Aesar.
Reference: [1] Patent: WO2009/100014, 2009, A1. Location in patent: Page/Page column 171-173; 197
  • 2
  • [ 148839-33-2 ]
  • [ 452-75-5 ]
Reference: [1] Angewandte Chemie - International Edition, 2008, vol. 47, # 32, p. 5993 - 5996
Historical Records

Related Functional Groups of
[ 452-75-5 ]

Fluorinated Building Blocks

Chemical Structure| 452-66-4

[ 452-66-4 ]

4-Chloro-1-fluoro-2-methylbenzene

Similarity: 0.97

Chemical Structure| 39224-18-5

[ 39224-18-5 ]

4-Chloro-2-fluoro-1,1'-biphenyl

Similarity: 0.89

Chemical Structure| 5527-94-6

[ 5527-94-6 ]

4-Chloro-3-fluorotoluene

Similarity: 0.83

Chemical Structure| 452-73-3

[ 452-73-3 ]

2-Chloro-4-fluoro-1-methylbenzene

Similarity: 0.81

Chemical Structure| 61072-56-8

[ 61072-56-8 ]

4-Chloro-2-fluorobenzaldehyde

Similarity: 0.81

Chlorides

Chemical Structure| 452-66-4

[ 452-66-4 ]

4-Chloro-1-fluoro-2-methylbenzene

Similarity: 0.97

Chemical Structure| 39224-18-5

[ 39224-18-5 ]

4-Chloro-2-fluoro-1,1'-biphenyl

Similarity: 0.89

Chemical Structure| 5527-94-6

[ 5527-94-6 ]

4-Chloro-3-fluorotoluene

Similarity: 0.83

Chemical Structure| 452-73-3

[ 452-73-3 ]

2-Chloro-4-fluoro-1-methylbenzene

Similarity: 0.81

Chemical Structure| 61072-56-8

[ 61072-56-8 ]

4-Chloro-2-fluorobenzaldehyde

Similarity: 0.81

Aryls

Chemical Structure| 452-66-4

[ 452-66-4 ]

4-Chloro-1-fluoro-2-methylbenzene

Similarity: 0.97

Chemical Structure| 39224-18-5

[ 39224-18-5 ]

4-Chloro-2-fluoro-1,1'-biphenyl

Similarity: 0.89

Chemical Structure| 5527-94-6

[ 5527-94-6 ]

4-Chloro-3-fluorotoluene

Similarity: 0.83

Chemical Structure| 452-73-3

[ 452-73-3 ]

2-Chloro-4-fluoro-1-methylbenzene

Similarity: 0.81

Chemical Structure| 61072-56-8

[ 61072-56-8 ]

4-Chloro-2-fluorobenzaldehyde

Similarity: 0.81