3D Mol Similar

Cycloocten

: IUPACName：cyclooctene; CAS Registry Number: 931-88-4; Molekulargewicht：110.19676

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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 Registry Number: 931-88-4

1.4 CID: 638079

1.5 EINECS-Nummer: 213-245-5

1.6 Summenformel: C8H14 (isomer)

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 Dichte: 0.848?g/mL?at 20?°C(lit.)

2.2 Schmelzpunkt: -16 ° C (beleuchtet)

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

2.4 Brechungsindex: 1.469

2.5 Blitzpunkt: 77?°F

2.6 PSA: 0.00000

2.7 logP: 2.89680

3. Sicherheit und Handhabung

3.1 Gefahrencodes: Xn

3.2 R-Satz: 10-65

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

3.4 Gefahrenkategorie: 3.2

3.5 Gefahrenbeschreibung: H226-H304

3.6 RIDADR: UN 3295 3 / PG 3

3.7 WGK Deutschland: 3

3.8 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

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

Literatur:
Baudry, Denise; Ephritikhine, Michel; Felkin, Hugh Journal of the Chemical Society, Chemical Communications, 1982 , # 11 p. 606 - 607
Verlassen Sie die Fabrik: ~64%

931-88-4 28 Lieferanten

Literatur:
Journal of the Chemical Society. Perkin Transactions 1, , # 3 p. 402 - 415
Verlassen Sie die Fabrik: null

286-62-4 14 Lieferanten

931-88-4 28 Lieferanten

Literatur:
Canadian Journal of Chemistry, , vol. 62, p. 2035 - 2040
Verlassen Sie die Fabrik: null

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7. Vorläufer und Produkt

Vorläufer:

286-62-4

772-60-1

498-66-8

499-44-5

502-49-8

292-64-8

696-71-9

536-74-3

931-89-5

931-88-4

Produkt :

292-64-8

821-38-5

638-54-0

1782-03-2

1556-10-1

1502-38-1

6688-11-5

3618-18-6

5130-47-2

496-82-2

1556-08-7

1556-09-8

1196-95-8

502-49-8

929-48-6

4828-34-6

505-48-6

931-88-4

286-62-4

4103-11-1

5452-37-9

629-41-4

3884-92-2

4277-29-6

696-71-9

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8. Weitere Informationen

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

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

9. Computerchemische Daten

Masse moléculaire: 110.2g/mol
Summenformel: C₈H₁₄
Compound Is Canonicalized: True
XLogP3-AA: 3.5
Exact Mass: 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==

10. Frage zu Antwort

Why is trans-cyclooctene chiral? Sep 23 2021
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..

11. Empfohlene Lieferanten

Global28LieferantenAlle anzeigen >>

SHANDONG BELIEVE CHEMICAL PTE LTD Audited Suppliers

Products:Pharmaceutical, chemical technology research and development
Tel:086-0532-80960264

cis-Cyclooctene

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/10/29

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Jinan Great Chemical Co.,Ltd. Audited Suppliers

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Cyclooctene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/11/02

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Shanghai Forever Synthesis Co.,Ltd. Audited Suppliers

Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
Tel:86-21-61124658

Cyclooctene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/06/12

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Zhejiang Haiqiang Chemical Co.,Ltd. Audited Suppliers

Products:API Intermediate Plant extracts Pigments and dyes Food and feed additives Reagent Customization synthesisOther products
Tel:86-571-86960370

Cyclooctene