Chlorindanol

Base Information

• Chemical Name: Chlorindanol
• CAS No.: 145-94-8
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.63
• European Community (EC) Number: 653-748-0
• NSC Number: 158565
• UNII: 7902N03BH0
• DSSTox Substance ID: DTXSID5041774
• Nikkaji Number: J5.835A
• Wikidata: Q27266700
• NCI Thesaurus Code: C77037
• ChEMBL ID: CHEMBL1449249
• Mol file: 145-94-8.mol

Synonyms:CHLORINDANOL;145-94-8;7-Chloro-4-indanol;7-Chloro-2,3-dihydro-1H-inden-4-ol;Clorindanol;Lanesta;1H-Inden-4-ol, 7-chloro-2,3-dihydro-;Chlorindanol [USAN];4-Indanol, 7-chloro-;Clorindanolum;NSC-158565;Clorindanolum [INN-Latin];Clorindanol [INN];HSDB 2157;NSC 158565;2,3-Dihydro-7-chloro-1H-inden-4-ol;BRN 1945696;DTXSID5041774;UNII-7902N03BH0;7902N03BH0;NCGC00160589-01;1H-Inden-4-ol, 2,3-dihydro-7-chloro-;1H-Inden-4-ol, 2,3-dihydro-7-chloro- (9CI);4-06-00-03828 (Beilstein Handbook Reference);Chlor-indanol;component of Lanesta;Clc1ccc(O)c2CCCc12;CHLORINDANOL [MI];Chlorindanol (USAN/INN);CHLORINDANOL [HSDB];CLORINDANOL [MART.];SCHEMBL615288;CHEMBL1449249;DTXCID3021774;AMY9217;HY-B0999;Tox21_111918;MFCD00021243;NSC158565;AKOS006274550;CCG-213197;CS-4493;s12133;CAS-145-94-8;DS-14038;LS-81294;FT-0660863;A25898;D03464;AB01562993_01;Chlorindanol;7-Chloro-2,3-dihydro-1h-inden-4-ol;SR-01000944179;SR-01000944179-1;Q27266700

Chemical Property of Chlorindanol

Chemical Property:

• Vapor Pressure: 0.00122mmHg at 25°C
• Melting Point: 91-93°
• Refractive Index: 1.5348 (estimate)
• Boiling Point: 290°Cat760mmHg
• PKA: 9.95±0.20(Predicted)
• Flash Point: 129.2°C
• PSA: 20.23000
• Density: 1.308g/cm³
• LogP: 2.53430
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

Chlorindanol 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2C1)Cl)O
• Uses: vasodilator Spermaticide.

Technology Process of Chlorindanol

There total 6 articles about Chlorindanol 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:

4-chloro-7-hydroxy-2,3-dihydro-1H-inden-1-one (81945-10-0) → 7-chloro-4-indanol (145-94-8)

Guidance literature:

With hydrogenchloride; amalgamated zinc; acetic acid;

DOI:10.1021/ja01570a068

Reference yield:

4-indanol (1641-41-4) → 7-chloro-4-indanol (145-94-8)

Guidance literature:

With N-chloro-succinimide;

Reference yield:

4-indanol (1641-41-4) → 7-chloro-4-indanol (145-94-8) + 5-chloro-2,3-dihydro-1H-inden-4-ol (90649-72-2)

Guidance literature:

With sulfuryl dichloride; iodine;

DOI:10.1021/ja01570a068

upstream raw materials:

4-chloro-7-hydroxy-2,3-dihydro-1H-inden-1-one

4-indanol

4-hydroxy-2,3-dihydroindan-1-one

4-chloro-phenol

Downstream raw materials:

Methyl α-(7-chloro-4-indanyloxy)-α-[p-(p-chlorophenoxy)phenyl]acetate

Refernces

• 1、 -. "Novel Bicyclic Pyridinones". Page/Page column 69. . Retrieved 2012/10/08.