9-(Chloromethyl)phenanthrene

Base Information

• Chemical Name: 9-(Chloromethyl)phenanthrene
• CAS No.: 951-05-3
• Molecular Formula: C15H11 Cl
• Molecular Weight: 226.705
• Hs Code.: 2903999090
• NSC Number: 82368
• UNII: 94J2QST4XA
• DSSTox Substance ID: DTXSID80241752
• Nikkaji Number: J1.902.289G
• Wikidata: Q83125316
• Mol file: 951-05-3.mol

Synonyms:9-(Chloromethyl)phenanthrene;9-CHLOROMETHYLPHENANTHRENE;951-05-3;Phenanthrene, 9-(chloromethyl)-;NSC 82368;94J2QST4XA;9-(chloromethyl)-phenanthrene;NSC-82368;NSC82368;UNII-94J2QST4XA;NCIOpen2_004303;SCHEMBL7912366;DTXSID80241752;AKOS015905176;FT-0664809

Chemical Property of 9-(Chloromethyl)phenanthrene

Chemical Property:

• Vapor Pressure: 2.63E-06mmHg at 25°C
• Melting Point: 99-101掳C
• Boiling Point: 402°C at 760 mmHg
• Flash Point: 185°C
• PSA: 0.00000
• Density: 1.223g/cm³
• LogP: 4.73180
• Storage Temp.: -20?C Freezer
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 226.0549280
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

9-Chloromethylphenanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)CCl

Technology Process of 9-(Chloromethyl)phenanthrene

There total 8 articles about 9-(Chloromethyl)phenanthrene 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: 88.0%

9-hydroxymethylphenanthrene (4707-72-6) → 9-(chloromethyl)phenanthrene (951-05-3)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 8h; Cooling with ice;

DOI:10.1039/d1nj01573g

Reference yield: 77.0%

1,3,5-Trioxan (110-88-3) + phenanthrene (85-01-8) → 9-(chloromethyl)phenanthrene (951-05-3)

Guidance literature:

With hydrogenchloride; In phosphoric acid; acetic acid; at 85 ℃; for 52h;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenanthrene (85-01-8) → 9-(chloromethyl)phenanthrene (951-05-3)

Guidance literature:

With hydrogenchloride; at 90 - 95 ℃; Einleiten von HCl;

DOI:10.1021/ja01251a038

upstream raw materials:

formaldehyd

phenanthrene

9-hydroxymethylphenanthrene

Phenanthrene-9-carboxaldehyde

Downstream raw materials:

3,5-dichloro-2-[9]phenanthrylmethoxy-benzoic acid methyl ester

9-methylphenanthrene

9-phenanthrylmethylamine

N-Benzoyl-O,N-bis--hydroxylamin