5-Chloro-1-pentanol - CAS 5259-98-3
Catalog: |
BB027880 |
Product Name: |
5-Chloro-1-pentanol |
CAS: |
5259-98-3 |
Synonyms: |
5-chloro-1-pentanol; 5-chloropentan-1-ol |
IUPAC Name: | 5-chloropentan-1-ol |
Description: | 5-Chloro-1-pentanol (CAS# 5259-98-3) is a reagent used in the synthesis of amidoalkylindoles as selective cannabinoid 2 receptor agonists which may be used in the treatment of multiple sclerosis. Also a compenent in the total synthesis of (R,S)S-glucoraphanin. |
Molecular Weight: | 122.59 |
Molecular Formula: | C5H11ClO |
Canonical SMILES: | C(CCO)CCCl |
InChI: | InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2 |
InChI Key: | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
Boiling Point: | 107 °C (10 torr) |
Density: | 1.06 g/cm3 |
MDL: | MFCD00039556 |
LogP: | 1.38780 |
GHS Hazard Statement: | H302 (100%): 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, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112473396-A | Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof | 20201127 |
CN-111978179-A | Synthetic method of 6-hydroxyhexanoate | 20200827 |
CN-112142966-A | Synthesis method of poly-6-hydroxyhexanoate | 20200826 |
CN-111362867-A | Mobile terminal, shell assembly, electrochromic material and preparation method thereof | 20200420 |
WO-2021206689-A1 | Flexible packaging material | 20200407 |
PMID | Publication Date | Title | Journal |
12101065 | 20020725 | Determination of remifentanil in human blood by capillary gas chromatography with nitrogen-selective detection | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 31.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.0498427 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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