6-Chlorohexanol - CAS 2009-83-8
Catalog: |
BB015652 |
Product Name: |
6-Chlorohexanol |
CAS: |
2009-83-8 |
Synonyms: |
6-chlorohexan-1-ol |
IUPAC Name: | 6-chlorohexan-1-ol |
Description: | 6-Chlorohexanol (CAS# 2009-83-8) is used as a reagent in the synthesis of 3-(4-Chloro butyl)-1H-indole-5-carbonitrile; a key intermediate of the antidepressant drug Vilazodone (V265000). |
Molecular Weight: | 136.62 |
Molecular Formula: | C6H13ClO |
Canonical SMILES: | C(CCCCl)CCO |
InChI: | InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2 |
InChI Key: | JNTPTNNCGDAGEJ-UHFFFAOYSA-N |
Boiling Point: | 108-112 °C (14 mmHg) |
Density: | 1.024 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00002984 |
LogP: | 1.77790 |
GHS Hazard Statement: | H302 (18.18%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
12426079 | 20021201 | A synthesis of the phenolic lipid, 3-[(Z)-pentadec-8-enyl] catechol, (15:1)-urushiol | Chemistry and physics of lipids |
Complexity: | 39.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0654927 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0654927 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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