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4-Iodobenzophenone, with the molecular formula C13H9IO, is a pale yellow solid chemical compound that is soluble in organic solvents. It serves as a versatile building block in the synthesis of various organic compounds and is known for its potential environmental hazard due to its toxic and irritant properties, necessitating careful handling and appropriate safety precautions.

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  • 6136-66-9 Structure
  • Basic information

    1. Product Name: 4-IODOBENZOPHENONE
    2. Synonyms: 4-IODOBENZOPHENONE
    3. CAS NO:6136-66-9
    4. Molecular Formula: C13H9IO
    5. Molecular Weight: 308.11
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6136-66-9.mol
  • Chemical Properties

    1. Melting Point: 97-99°C
    2. Boiling Point: 366.6 °C at 760 mmHg
    3. Flash Point: 175.5 °C
    4. Appearance: /
    5. Density: 1.624 g/cm3
    6. Vapor Pressure: 1.45E-05mmHg at 25°C
    7. Refractive Index: 1.647
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-IODOBENZOPHENONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-IODOBENZOPHENONE(6136-66-9)
    12. EPA Substance Registry System: 4-IODOBENZOPHENONE(6136-66-9)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6136-66-9(Hazardous Substances Data)

6136-66-9 Usage

Uses

Used in Pharmaceutical Industry:
4-Iodobenzophenone is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs and medicinal compounds.
Used in Dye Industry:
In the dye industry, 4-Iodobenzophenone is utilized as a precursor in the production of dyes, contributing to the creation of a wide range of colorants for various applications.
Used in Organic Chemicals Production:
4-Iodobenzophenone is employed as a building block in the synthesis of other organic chemicals, playing a crucial role in the development of diverse chemical products.
Used in UV-Curable Inks and Coatings:
4-Iodobenzophenone is used as a photoinitiator in the formulation of UV-curable inks and coatings, enabling rapid curing under ultraviolet light and improving the efficiency of the curing process.

Check Digit Verification of cas no

The CAS Registry Mumber 6136-66-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,3 and 6 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 6136-66:
(6*6)+(5*1)+(4*3)+(3*6)+(2*6)+(1*6)=89
89 % 10 = 9
So 6136-66-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H9IO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

6136-66-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Iodobenzophenone

1.2 Other means of identification

Product number -
Other names Methanone, (4-iodophenyl)phenyl-

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:6136-66-9 SDS

6136-66-9Relevant articles and documents

Photo-induced oxidative cleavage of C-C double bonds of olefins in water

Zhang, Yilan,Yue, Xiaoguang,Liang, Chenfeng,Zhao, Jianming,Yu, Wenbo,Zhang, Pengfei

supporting information, (2021/08/27)

The carbonyl compounds, synthesized by the oxidative cleavage of their corresponding olefins, are of great significance in organic synthesis, especially aryl ketones. We have developed a gentle and effective protocol, using acid red 94 as the organic metal-free photocatalyst, O2 as the oxidant, and water as the solvent. Under visible light irradiation, aryl ketone derivatives were obtained in moderate to excellent yields, showing good economic and environmental advantages.

Selective oxidation of alkenes to carbonyls under mild conditions

Huo, Jie,Xiong, Daokai,Xu, Jun,Yue, Xiaoguang,Zhang, Pengfei,Zhang, Yilan

supporting information, p. 5549 - 5555 (2021/08/16)

Herein, a practical and sustainable method for the synthesis of aldehydes, ketones, and carboxylic acids from an inexpensive olefinic feedstock is described. This transformation features very sustainable and mild conditions and utilizes commercially available and inexpensive tetrahydrofuran as the additive, molecular oxygen as the sole oxidant and water as the solvent. A wide range of substituted alkenes were found to be compatible, providing the corresponding carbonyl compounds in moderate-to-good yields. The control experiments demonstrated that a radical mechanism is responsible for the oxidation reaction.

Aryl aldiketone and synthesis method thereof

-

Paragraph 0030, (2021/09/26)

The invention discloses an aryl aldehyde ketone and a synthesis method thereof, wherein an aryl aldehyde is synthesized from cheap olefin as a raw material. A commercially available inexpensive olefin is used as a raw material, ether is used as an additive, molecular oxygen serves as a sole oxidizing agent, water is used as a solvent, and the aldehyde and ketone are synthesized by column chromatography under a photocatalytic condition. The invention has the advantages of mild reaction conditions, green and environmental protection, simple experimental operation, good reaction selectivity, high product yield and the like.

Hydrogen-Bond-Donor Solvents Enable Catalyst-Free (Radio)-Halogenation and Deuteration of Organoborons

Yang, Yi,Gao, Xinyan,Zeng, Xiaojun,Han, Junbin,Xu, Bo

supporting information, p. 1297 - 1300 (2020/12/23)

A hydrogen bond donor solvent assisted (radio)halogenation and deuteration of organoborons has been developed. The reactions exhibited high functional group tolerance and needed only an ambient atmosphere. Most importantly, compared to literature methods, our conditions are more consistent with the principals of green chemistry (e.g., metal-free, strong oxidant-free, more straightforward conditions).

AIBN initiated functionalization of the benzylic sp3 C[sbnd]H and C[sbnd]C bonds in the presence of dioxygen

Hu, Yingying,Shao, Yu,Zhang, Shuwei,Yuan, Yuan,Sun, Zheng,Yuan, Yu,Jia, Xiaodong

supporting information, (2021/02/01)

A sp3 C[sbnd]H bond functionalization and C[sbnd]C bond cleavage were realized by AIBN/O2 catalyst system, providing a series of benzophenones under mild reaction conditions. The mechanistic study shows that a peroxide intermediate is involved in this transformation, and in the case of diphenylmethanes, the sp3 C[sbnd]C bond is cleaved through the peroxide rearrangement, which might provides a new way to cleave relatively strong C[sbnd]C bond and be applied to more general C[sbnd]C bond activation.

Connecting a carbonyl and a π-conjugated group through a: P-phenylene linker by (5+1) benzene ring formation

Morofuji, Tatsuya,Kinoshita, Hanae,Kano, Naokazu

supporting information, p. 8575 - 8578 (2019/07/25)

A benzene ring was formed to connect a carbonyl group of various methyl ketones with a π-conjugated group through a p-phenylene linker. Methyl ketones and streptocyanines were used as the C1 and C5 sources, respectively, in the (5+1) annulation, which could form donor-π-acceptor molecules.

Chemoselective Synthesis of Aryl Ketones from Amides and Grignard Reagents via C(O)-N Bond Cleavage under Catalyst-Free Conditions

Sureshbabu, Popuri,Azeez, Sadaf,Muniyappan, Nalluchamy,Sabiah, Shahulhameed,Kandasamy, Jeyakumar

, p. 11823 - 11838 (2019/10/02)

Conversion of a wide range of N-Boc amides to aryl ketones was achieved with Grignard reagents via chemoselective C(O)-N bond cleavage. The reactions proceeded under catalyst-free conditions with different aryl, alkyl, and alkynyl Grignard reagents. α-Ketoamide was successfully converted to aryl diketones, while α,β-unsaturated amide underwent 1,4-addition followed by C(O)-N bond cleavage to provide diaryl propiophenones. N-Boc amides displayed higher reactivity than Weinreb amides with Grignard reagents. A broad substrate scope, excellent yields, and quick conversion are important features of this methodology.

Preparation method of aromatic ketone

-

Paragraph 0046; 0047; 0048; 0050, (2018/09/11)

The invention discloses a preparation method of aromatic ketone. Under the effects of a palladium catalyst and a nitrogen-containing ligand, nitrile compounds and arylsulfonylhydrazide take desulfurization addition reaction in an organic solvent; after the reaction is completed, post treatment is performed to obtain aromatic ketone. The reaction is applicable to aromatic nitrile compounds, and isalso applicable to aliphatic nitrile compounds; the reaction realizes the wide substrate applicability and functional group tolerance; the potential application value is realized in the aspect of aryl-carbonyl building.

Method for preparing aromatic ketone in aqueous phase

-

Paragraph 0042-0045, (2018/04/26)

The invention discloses a method for preparing aromatic ketone in an aqueous phase, comprising the following steps: enabling aryl formyl potassium formate and aryl potassium fluoborate to generate decarboxylation acylation reaction in water under the actions of a silver catalyst and an oxidizing agent, and performing treatment after reaction is ended to obtain the disclosed aromatic ketone. According to the preparation method, the silver catalyst replaces a noble metal catalyst, water is taken as a solvent, an aromatic ketone product is obtained with relatively high yield, the adopted catalystis low in cost and easy to obtain, reaction conditions are mild, and meanwhile, the product is good in university, and therefore, the method has good application potential.

Pd(II)-Catalyzed Denitrogenative and Desulfinative Addition of Arylsulfonyl Hydrazides with Nitriles

Meng, Mengting,Yang, Liangfeng,Cheng, Kai,Qi, Chenze

, p. 3275 - 3284 (2018/03/25)

A Pd(II)-catalyzed denitrogenative and desulfinative addition of arylsulfonyl hydrazides with nitriles has been successfully achieved under mild conditions. This transformation is a new method for the addition reaction to nitriles with arylsulfonyl hydrazides as arylating agent, thus providing an alternative synthesis of aryl ketones. The reported addition reaction is tolerant to many common functional groups, and works well in the presence of electron-donating and electron-withdrawing substituents. Notably, the reported denitrogenative and desulfinative addition was also appropriate for alkyl nitriles, making this newly developed transformation attractive.

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