Chemische Enzyklopädie / Organic Intermediate / Pharmaceutical Intermediates / Laboratory Chemicals

Cycloocten

CAS：931-88-4
MW:110.2
MF：C8H14

cis-Cyclooctene, with the chemical formula C8H14 and CAS registry number 931-88-4, is a compound known for its applications in various chemical processes. This colorless liquid is characterized by its cycloalkene structure, consisting of a ring of eight carbon atoms with a double bond between two adjacent carbons. It is commonly used as a starting material in organic synthesis, offering a versatile platform for the introduction of various functional groups into different molecules. cis-Cyclooctene is also known for its ability to undergo ring-opening reactions, leading to the formation of different compounds with diverse properties. Furthermore, it is used as a ligand in coordination chemistry, forming complexes with transition metals. Overall, cis-Cyclooctene plays a crucial role in the field of organic chemistry, serving as a valuable building block for the synthesis of numerous compounds.

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Namen und Bezeichner
Eigenschaften
Sicherheit
SDB-Informationen
NMR Spektrum
Weitere Informationen
Computerchemische Daten
Verwandte Fragen
Realisierte Produktinformationen

1. Namen und Bezeichner

1.1 Produktname: Cycloocten

1.2 Synonyme: CYCLOOCTENE, STANDARD FÜR GC; Cycloocten, 99%; CYCLOOCTENE 95%; CIS-CYCLOOCTENE; CYCLOOCTENE

1.3 CAS No.: 931-88-4

1.4 CID: 638079

1.5 EINECS-Nummer: 213-245-5

1.6 Summenformel: C8H14

1.7 Inchi: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

1.8 InchiKey: URYYVOIYTNXXBN-UPHRSURJSA-N

1.9 Kanonisch SMILES: C1CCC\C=C/CC1

1.10 Isomere SMILES: C1CCC/C=C\CC1

2. Eigenschaften

2.1 Schmelzpunkt: -16 ° C (beleuchtet)

2.2 Siedepunkt: 32-34 ° C 12 mm Hg (lit.)

3. Sicherheit

3.1 Gefahrencodes: Xn

3.2 R-Satz: 10-65

3.3 S-Satz: 29-33-62-16

3.4 RIDADR: UN 3295 3 / PG 3

3.5 WGK Deutschland: 3

3.6 Sicherheit und Gefahren

Gefahrencodes	Xn
R-Satz	10-65
S-Satz	29-33-62-16
RIDADR	UN 3295 3 / PG 3
WGK Deutschland	3
Speicherklasse	3.2
Verpackungsgruppe	III

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4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Aspiration hazard, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H226 Flammable liquid and vapour H304 May be fatal if swallowed and enters airways
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P331 Do NOT induce vomiting.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spektrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

6. Synthetischer Weg.

931-88-4Total: 187 Synthetischer Weg.

292-64-8 19 Lieferanten

931-88-4 28 Lieferanten

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7. Vorläufer und Produkt

Vorläufer:

286-62-4

498-66-8

499-44-5

502-49-8

292-64-8

696-71-9

931-89-5

931-88-4

Produkt:

286-62-4

496-82-2

502-49-8

292-64-8

629-41-4

929-48-6

638-54-0

696-71-9

505-48-6

931-88-4

8. Computerchemische Daten

Molecular Weight：110.2g/mol
Molecular Formula：C₈H₁₄
Compound Is Canonicalized：True
Exact Mass：3.5
XLogP3-AA：110.109550447
Monoisotopic Mass：110.109550447
Complexity：62.1
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：8
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Weitere Informationen

EPA Substance Registry System: Cycloocten (931-88-4)

NIST Chemie Referenz: Cycloocten (931-88-4)

10. Toltal 28 Lieferanten Mehr anzeigen

SHANDONG BELIEVE CHEMICAL PTE LTD

Tel: Update Time:2024/10/29

inquire

Jinan Great Chemical Co.,Ltd.

Tel: Update Time:2023/11/02

inquire

Shanghai Forever Synthesis Co.,Ltd.

Tel: Update Time:2019/06/12

inquire

Zhejiang Haiqiang Chemical Co.,Ltd.

Tel: Update Time:2019/06/12

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TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

inquire

11. Verwandte Fragen

: Why is trans-cyclooctene chiral? How does trans-cyclooctene exhibit chirality if there are no stereocenters? Related follow-on questions: Are all higher cycloalkenes chiral? Do more double bonds cause a bigger number of stereoisomer..

12. Realisierte Produktinformationen