9-CHLOROPHENANTHRENE

Base Information

• Chemical Name: 9-CHLOROPHENANTHRENE
• CAS No.: 947-72-8
• Molecular Formula: C14H9Cl
• Molecular Weight: 212.678
• Hs Code.: 29036990
• European Community (EC) Number: 213-430-0
• NSC Number: 8552
• DSSTox Substance ID: DTXSID00241572
• Nikkaji Number: J69.559I
• Wikidata: Q72456338
• ChEMBL ID: CHEMBL1986631
• Mol file: 947-72-8.mol

Synonyms:10-Chlorophenanthrene;9-Chlorophenanthrene;NSC 8552;

Chemical Property of 9-CHLOROPHENANTHRENE

Chemical Property:

• Appearance/Colour: light yellow fluffy powder
• Vapor Pressure: 2.42E-05mmHg at 25°C
• Melting Point: 46-50 °C
• Refractive Index: 1.717
• Boiling Point: 370.1 °C at 760 mmHg
• Flash Point: 179.2 °C
• PSA: 0.00000
• Density: 1.253 g/cm³
• LogP: 4.64640
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 212.0392780
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

9-Chlorophenanthrene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Cl
• Uses: 9-Chlorophenanthrene is a monochlorinated phenanthracene with mutagenic activity. Studies suggest that its carcinogenicity might be associated with aryl hydrocarbon receptor signaling.

Technology Process of 9-CHLOROPHENANTHRENE

There total 34 articles about 9-CHLOROPHENANTHRENE 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: 85.0%

phenanthrene (85-01-8) → 9-chlorophenanthrene (947-72-8)

Guidance literature:

With lead(IV) acetate; tin(IV) chloride; In dichloromethane; for 0.25h;

DOI:10.1016/0040-4020(96)00433-4

Reference yield: 64.0%

2-(1-chloro-2-iodovinyl)biphenyl (1375801-15-2) → 9-chlorophenanthrene (947-72-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 1h; UV-irradiation; Inert atmosphere; Pyrex filter;

DOI:10.1016/j.tet.2012.03.056

Reference yield: 55.7%

phenanthrene (85-01-8) → 9,9'-biphenanthrene (20532-03-0) + 9-chlorophenanthrene (947-72-8)

Guidance literature:

With Iodine monochloride; In acetonitrile; for 24h;

DOI:10.1021/jo00103a026

upstream raw materials:

phenanthrene

acetic acid-(2,4,6,N-tetrachloro-anilide)

cis-9,10-dichloro-9,10-dihydro-phenanthrene

(+/-)-trans-9,10-dichloro-9,10-dihydro-phenanthrene

Downstream raw materials:

9-(2,4,6-trimethyl-phenyl)-phenanthrene

9-(o-tolyl)phenanthrene

9-phenylphenanthrene

9-(4-butylphenyl)phenanthrene

Refernces

• 1、 Bolam,Hope. "-". . . Retrieved 1941.
• 2、 Campos-Gómez, Esther,Campos, Pedro J.,González, Héctor F.,Rodríguez, Miguel A.. "Light-induced carbocyclization of iodoalkenes". experimental part. p. 4292 - 4295. Retrieved 2012/07/16.
• 3、 Ohura, Takeshi,Amagai, Takashi,Makino, Masakazu. "Behavior and prediction of photochemical degradation of chlorinated polycyclic aromatic hydrocarbons in cyclohexane". . p. 2110 - 2117. Retrieved 2008/09/19.