Dibutyl disulfide - CAS 629-45-8
Catalog: |
BB031896 |
Product Name: |
Dibutyl disulfide |
CAS: |
629-45-8 |
Synonyms: |
1-(butyldisulfanyl)butane |
IUPAC Name: | 1-(butyldisulfanyl)butane |
Description: | Dibutyl disulfide (CAS# 629-45-8) is a useful research chemical. |
Molecular Weight: | 178.36 |
Molecular Formula: | C8H18S2 |
Canonical SMILES: | CCCCSSCCCC |
InChI: | InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3 |
InChI Key: | CUDSBWGCGSUXDB-UHFFFAOYSA-N |
Boiling Point: | 229-233 °C |
Melting Point: | -94 °C (lit.) |
Flash Point: | 93 °C |
Purity: | 95 % |
Density: | 0.938 g/cm3 |
Appearance: | Clear colourless to very slightly brown liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009467 |
LogP: | 3.96800 |
Refractive Index: | 1.4915-1.4935 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
16316101 | 20051206 | Direct observation of thiolate displacement reactions on Au(111): the role of physisorbed disulfides | Langmuir : the ACS journal of surfaces and colloids |
14604368 | 20031114 | Rhodium-catalyzed regio- and stereoselective 1-seleno-2-thiolation of 1-alkynes | The Journal of organic chemistry |
12653474 | 20020501 | Oxidation of sulfides and disulfides under electron transfer or singlet oxygen photosensitization using soluble or grafted sensitizers | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
11351296 | 20010615 | Induction of histone acetylation in mouse erythroleukemia cells by some organosulfur compounds including allyl isothiocyanate | International journal of cancer |
Complexity: | 47.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.08499292 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.08499292 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 50.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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