| Identification | Back Directory | [Name]
1,3-CYCLOHEPTADIENE | [CAS]
4054-38-0 | [Synonyms]
1,3-CYCLOHEPTADIENE
cyclohepta-1,3-diene
1,3-Cycloheptadiene 95%
1,3-CYCLOHEPTADIENE ISO 9001：2015 REACH | [EINECS(EC#)]
223-762-8 | [Molecular Formula]
C7H10 | [MDL Number]
MFCD00004155 | [MOL File]
4054-38-0.mol | [Molecular Weight]
94.15 |
| Chemical Properties | Back Directory | [Melting point ]
-110.4°C | [Boiling point ]
120-121 °C (lit.) | [density ]
0.868 g/mL at 25 °C (lit.) | [refractive index ]
n20/D 1.498(lit.)
| [Fp ]
52 °F
| [storage temp. ]
2-8°C | [Water Solubility ]
619.2mg/L(temperature not stated) | [BRN ]
1847604 | [InChI]
1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2 | [InChIKey]
GWYPDXLJACEENP-UHFFFAOYSA-N | [SMILES]
C1CC=CC=CC1 |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn | [Risk Statements ]
11-65 | [Safety Statements ]
16-23-24/25-62 | [RIDADR ]
UN 3295 3/PG 2
| [WGK Germany ]
3
| [F ]
23 | [HazardClass ]
3.1 | [PackingGroup ]
II | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Asp. Tox. 1
Flam. Liq. 2 |
| Hazard Information | Back Directory | [Uses]
1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones. | [General Description]
1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations. | [Purification Methods]
Purify the diene by dissolving it in Et2O, washing with 5% HCl, H2O, drying (MgSO4), evaporating, and the residue is distilled under dry N2 through a semi-micro column (some foaming occurs) [Cope et al. J Am Chem Soc 79 6287 1957, UV: Pesch & Friess J Am Chem Soc 72 5756 1950]. [Beilstein 5 IV 390.] |
|
| Company Name: |
Energy Chemical
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021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
NovoChemy Ltd.
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| Tel: |
86-(0)21-31261262 373522135 |
| Website: |
www.novochemy.com |
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