3-Iodobenzoyl chloride

Base Information

• Chemical Name: 3-Iodobenzoyl chloride
• CAS No.: 1711-10-0
• Molecular Formula: C7H4ClIO
• Molecular Weight: 266.466
• Hs Code.: 2916399090
• European Community (EC) Number: 216-979-4
• NSC Number: 93251
• UNII: X9F9HN364B
• DSSTox Substance ID: DTXSID70169012
• Nikkaji Number: J203.100K
• Wikidata: Q72483418
• Mol file: 1711-10-0.mol

Synonyms:3-Iodobenzoyl chloride;1711-10-0;3-Iodobenzoylchloride;Benzoyl chloride, 3-iodo-;M-IODOBENZOYL CHLORIDE;3-iodo-benzoyl chloride;X9F9HN364B;EINECS 216-979-4;NSC-93251;NSC93251;3-iodo benzoyl chloride;Ethyl2-methyl-4-pentenoate;NCIOpen2_005900;UNII-X9F9HN364B;SCHEMBL40374;DTXSID70169012;BENZOYL CHLORIDE, M-IODO-;3-Iodobenzoyl chloride, AldrichCPR;BAA71110;STR09650;MFCD02093934;NSC 93251;AKOS009159341;AM20030144;FT-0615899;I0720;A20370;Benzoylchloride,3-iodo-;M-Iodobenzoyl chloride;D91195;4-Oxo-1,2-piperidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester?

Chemical Property of 3-Iodobenzoyl chloride

Chemical Property:

• Melting Point: 23-25°C
• Refractive Index: 1.6415
• Boiling Point: 280.7 °C at 760 mmHg
• Flash Point: 123.6 °C
• PSA: 17.07000
• Density: 1.932 g/cm³
• LogP: 2.67020
• Sensitive.: Moisture & Light Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 265.89954
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Iodobenzoyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C,Xi
• Statements: 34-41
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)C(=O)Cl

Technology Process of 3-Iodobenzoyl chloride

There total 3 articles about 3-Iodobenzoyl chloride 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: 100.0%

3-Iodobenzoic acid (618-51-9) → 3-iodobenzoyl chloride (1711-10-0)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide;

DOI:10.1021/jm00038a002

Reference yield:

N-cyclohexyl-cyclohexanamine (101-83-7) + 3-Iodobenzoic acid (618-51-9) → 3-iodobenzoyl chloride (1711-10-0)

Guidance literature:

With thionyl chloride; In diethyl ether; dichloromethane;

Reference yield:

→ 3-iodobenzoyl chloride (1711-10-0)

Guidance literature:

upstream raw materials:

3-Iodobenzoic acid

N-cyclohexyl-cyclohexanamine

Downstream raw materials:

(3-iodo-phenyl)-[1]naphthyl ketone

m-iodobenzamide

bis-(3-iodo-benzoyl)-peroxide

m-Iodbenzoesaeureanhydrid

Refernces

• 1、 Li, Xiaochuan,Han, Yujie,Kim, Myeong Jin,Son, Young-A. "A BODIPY-based highly emissive dye with thiophene-based branch harvesting the light". . p. 157 - 164. Retrieved 2018.
• 2、 Subiros-Funosas, Ramon,Ho, Vivian Cheuk Lam,Barth, Nicole D.,Mendive-Tapia, Lorena,Pappalardo, Morena,Barril, Xavier,Ma, Ruoyu,Zhang, Cheng-Bin,Qian, Bin-Zhi,Sintes, Miquel,Ghashghaei, Ouldouz,Lavilla, Rodolfo,Vendrell, Marc. "Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomas". . p. 1368 - 1374. Retrieved 2020.
• 3、 Varakala, Saiprasad Dasugari,Reshma, Rudraraju Srilakshmi,Schnell, Robert,Dharmarajan, Sriram. "Lead derivatization of ethyl 6-bromo-2-((dimethylamino)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate and 5-bromo-2-(thiophene-2-carboxamido) benzoic acid as FabG inhibitors targeting ESKAPE pathogens". . . Retrieved 2021/11/26.
• 4、 Chen, Xi,Ding, Ya-Nan,Gou, Xue-Ya,Liang, Yong-Min,Luan, Yu-Yong,Niu, Zhi-Jie,Shi, Wei-Yu,Zhang, Zhe,Zheng, Nian. "Highly regioselective and stereoselective synthesis of C-Aryl glycosidesvianickel-catalyzedortho-C-H glycosylation of 8-aminoquinoline benzamides". supporting information. p. 8945 - 8948. Retrieved 2021/09/10.