2,3-Dimethyl-1,3-butadiene - CAS 513-81-5
Catalog: |
BB027421 |
Product Name: |
2,3-Dimethyl-1,3-butadiene |
CAS: |
513-81-5 |
Synonyms: |
2,3-dimethylbuta-1,3-diene |
Application: |
Found in the 66-70 deg fraction of Puertollano shale oil; Used to make synthetic rubber and polymers. |
IUPAC Name: | 2,3-dimethylbuta-1,3-diene |
Description: | 2,3-Dimethyl-1,3-butadiene (CAS# 513-81-5) is a useful building block for organic synthesis. |
Molecular Weight: | 82.14 |
Molecular Formula: | C6H10 |
Canonical SMILES: | CC(=C)C(=C)C |
InChI: | InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 |
InChI Key: | SDJHPPZKZZWAKF-UHFFFAOYSA-N |
Boiling Point: | 68 °C |
Flash Point: | -1 °C |
Purity: | > 98.0 % (GC) |
Density: | 0.73 g/cm3 |
Appearance: | Colorless to almost colorless clear liquid |
Storage: | < 0 °C |
MDL: | MFCD00008595 |
LogP: | 2.13860 |
Refractive Index: | 1.44 |
Vapor Pressure: | 152.0 [mmHg] |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210: Keep away from heat, sparks, open flames, hot surfaces. No smoking. P233: Keep container tightly closed. P303+P361+P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. [As modified by IV ATP]. Rinse skin with water/shower. P370+P378: In case of fire: Use for extinction: P403+P235: Store in a well ventilated place. Keep cool. P501: Dispose of contents/container in accordance with local/regional/national/international regulations. |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480690-A | Multi-component copolymer and preparation method thereof | 20210818 |
CN-113429499-A | Catalytic hydrogenation method of nitrile rubber | 20210809 |
CN-113493535-A | Polysiloxane-containing chain end functionalized polymer and preparation method and application thereof | 20210730 |
CN-113307896-A | Binuclear rare earth catalyst and preparation method and application thereof | 20210609 |
CN-113292667-A | Multi-component copolymer and preparation method thereof | 20210506 |
PMID | Publication Date | Title | Journal |
22708610 | 20120725 | Two-electron redox chemistry at the dinuclear core of a TePt platform: chlorine photoreductive elimination and isolation of a Te(V)Pt(I) complex | Journal of the American Chemical Society |
22589859 | 20120401 | trans-Dichloridobis(triphenyl-phosphane-κP)palladium(II) benzene hemisolvate | Acta crystallographica. Section E, Structure reports online |
21995489 | 20111110 | Kinetics studies of the gas-phase reactions of NO3 radicals with series of 1-alkenes, dienes, cycloalkenes, alkenols, and alkenals | The journal of physical chemistry. A |
21882314 | 20111004 | Cobalt-catalyzed 1,4-hydrobutadienylation of 1-aryl-1,3-dienes with 2,3-dimethyl-1,3-butadiene | Angewandte Chemie (International ed. in English) |
21866926 | 20110916 | DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation | Organic letters |
Complexity: | 66 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 82.07825031899999 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 82.07825031899999 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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