1-Chlorodecane - CAS 1002-69-3
Catalog: |
BB000149 |
Product Name: |
1-Chlorodecane |
CAS: |
1002-69-3 |
Synonyms: |
1-chlorodecane |
IUPAC Name: | 1-chlorodecane |
Description: | 1-Chlorodecane (CAS# 1002-69-3) is a reagent in the preparation of antimycobacterial agents. Also used in the synthesis of antimalarial atovaquone derivatives. |
Molecular Weight: | 176.73 |
Molecular Formula: | C10H21Cl |
Canonical SMILES: | CCCCCCCCCCCl |
InChI: | InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 |
InChI Key: | ZTEHOZMYMCEYRM-UHFFFAOYSA-N |
Boiling Point: | 223.7 °C at 760 mmHg |
Density: | 0.868 g/cm3 |
Appearance: | Liquid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00000956 |
LogP: | 4.36590 |
GHS Hazard Statement: | H351 (92.68%): Suspected of causing cancer [Warning Carcinogenicity] |
Precautionary Statement: | P201, P202, P273, P281, P308+P313, P391, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21591660 | 20110620 | Electrophilic components of diesel exhaust particles (DEP) activate transient receptor potential ankyrin-1 (TRPA1): a probable mechanism of acute pulmonary toxicity for DEP | Chemical research in toxicology |
19701186 | 20091001 | Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate | Nature chemical biology |
19788064 | 20090801 | Identification of alpha2u-globulin and bound volatiles in the Indian common house rat (Rattus rattus) | Indian journal of biochemistry & biophysics |
22303150 | 20090101 | Molecular sensing by nanoporous crystalline polymers | Sensors (Basel, Switzerland) |
15941267 | 20050615 | Mechanistic study of the SmI2/H2O/amine-mediated reduction of alkyl halides: amine base strength (pKBH+) dependent rate | Journal of the American Chemical Society |
Complexity: | 61.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.1331784 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.1331784 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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