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1-allyl-3-chloro-4-fluorobenzene, with the molecular formula C9H8ClF, is an aromatic compound and a derivative of benzene. It features a benzene ring with an allyl group, a chlorine atom, and a fluorine atom attached as substituents. This chemical compound is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and it is also being explored for its potential biological activity, making it a valuable building block for the development of new therapeutic compounds. However, due to its potential hazards to health and the environment, careful handling is required.

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  • 121626-73-1 Structure
  • Basic information

    1. Product Name: 1-allyl-3-chloro-4-fluorobenzene
    2. Synonyms: 1-allyl-3-chloro-4-fluorobenzene
    3. CAS NO:121626-73-1
    4. Molecular Formula: C9H8ClF
    5. Molecular Weight: 170.62
    6. EINECS: 406-630-6
    7. Product Categories: N/A
    8. Mol File: 121626-73-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 202.5°Cat760mmHg
    3. Flash Point: 86.1°C
    4. Appearance: /
    5. Density: 1.137g/cm3
    6. Vapor Pressure: 0.415mmHg at 25°C
    7. Refractive Index: 1.512
    8. Storage Temp.: N/A
    9. Solubility: 100000 in mg/100g standard fat at 20 ℃
    10. Water Solubility: 7mg/L at 20℃
    11. CAS DataBase Reference: 1-allyl-3-chloro-4-fluorobenzene(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-allyl-3-chloro-4-fluorobenzene(121626-73-1)
    13. EPA Substance Registry System: 1-allyl-3-chloro-4-fluorobenzene(121626-73-1)
  • Safety Data

    1. Hazard Codes: Xi,N
    2. Statements: 38-51/53
    3. Safety Statements: 23-37-61
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 121626-73-1(Hazardous Substances Data)

121626-73-1 Usage

Uses

Used in Pharmaceutical Industry:
1-allyl-3-chloro-4-fluorobenzene is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, 1-allyl-3-chloro-4-fluorobenzene serves as an intermediate in the production of agrochemicals. Its incorporation into these products can contribute to the creation of more effective and targeted pesticides or other agricultural chemicals.
Used in Research and Development:
1-allyl-3-chloro-4-fluorobenzene is also utilized in research settings for studying its potential biological activity. Scientists are interested in its properties to understand how it can be harnessed for developing new compounds with medicinal or other beneficial uses.
Used in Chemical Synthesis as a Building Block:
Due to its structural features, 1-allyl-3-chloro-4-fluorobenzene is used as a building block in the synthesis of a variety of organic compounds. Its versatility in reacting with other molecules makes it a valuable component in organic chemistry for creating complex molecules with specific functions.

Check Digit Verification of cas no

The CAS Registry Mumber 121626-73-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,1,6,2 and 6 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 121626-73:
(8*1)+(7*2)+(6*1)+(5*6)+(4*2)+(3*6)+(2*7)+(1*3)=101
101 % 10 = 1
So 121626-73-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H8ClF/c1-2-3-7-4-5-9(11)8(10)6-7/h2,4-6H,1,3H2

121626-73-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-1-fluoro-4-prop-2-enylbenzene

1.2 Other means of identification

Product number -
Other names PC5305

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:121626-73-1 SDS

121626-73-1Relevant articles and documents

Process for the preparation of (aryl)-(dimethyl)-(3-(4-fluoro-3-aryloxyphenyl)propyl)silanes

-

, (2008/06/13)

The present invention relates to a process for the preparation of compounds of the formula I STR1 in which R1 denotes H, halogen, (C1 -C4)-alkyl or (C1 -C4)-alkoxy and R2 denotes H, halogen, (C1 -C4)-alkyl, (C1 -C4)-alkyl-thio, (C1 -C4)-alkoxy or the bivalent group 3,4-0-CH2 -O, comprising reacting a compound of the formula II STR2 in which X denotes halogen and R2 has the meaning as in formula I, in the presence of a copper catalyst with an alkali metal phenolate or alkaline earth metal phenolate of the formula III STR3 in which M denotes an alkali metal or an alkaline earth metal and R1 has the meaning as in formula I.

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