1-Chlorooctane - CAS 111-85-3
Catalog: |
BB002819 |
Product Name: |
1-Chlorooctane |
CAS: |
111-85-3 |
Synonyms: |
1-chlorooctane |
IUPAC Name: | 1-chlorooctane |
Description: | 1-Chlorooctane (CAS# 111-85-3) is a useful research chemical. |
Molecular Weight: | 148.67 |
Molecular Formula: | C8H17Cl |
Canonical SMILES: | CCCCCCCCCl |
InChI: | InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3 |
InChI Key: | CNDHHGUSRIZDSL-UHFFFAOYSA-N |
Boiling Point: | 183 °C |
Melting Point: | -61 °C |
Flash Point: | 70 °C |
Purity: | 99 % |
Density: | 0.874 g/cm3 |
Appearance: | Liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001022 |
LogP: | 3.58570 |
Vapor Pressure: | 0.95 [mmHg] |
GHS Hazard Statement: | H304 (51.96%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] |
Precautionary Statement: | P273, P301+P310, P331, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480451-A | Amidine ultraviolet absorbent, preparation method and application thereof | 20210804 |
CN-113024417-A | Method and device for strengthening separation in isocyanate preparation | 20210527 |
CN-113024417-B | Method and device for strengthening separation in isocyanate preparation | 20210527 |
CN-113308290-A | Flame-retardant transformer oil and preparation method thereof | 20210525 |
CN-112999693-A | Ionic liquid purification device and method | 20210407 |
PMID | Publication Date | Title | Journal |
21316068 | 20111001 | Identification of urinary sex pheromones in female buffaloes and their influence on bull reproductive behaviour | Research in veterinary science |
18307365 | 20080401 | Phase behavior and microstructure of C12E5 nonionic microemulsions with chlorinated oils | Langmuir : the ACS journal of surfaces and colloids |
15519399 | 20041201 | Aqueous solubility, Henry's law constants and air/water partition coefficients of n-octane and two halogenated octanes | Chemosphere |
18070393 | 20040801 | Characterization of infrared and near-infrared absorptions of free alcoholic OH groups in hydrocarbon | Applied spectroscopy |
11975998 | 20020503 | Dechlorination of PCBs, CAHs, herbicides and pesticides neat and in soils at 25 degrees C using Na/NH3 | Journal of hazardous materials |
Complexity: | 43.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.1018782 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.1018782 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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