Basic information
- CAS
5417-32-3- Standard SMILES
C1=CCOCOC1- InChIKey
BAKUAUDFCNFLBX-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- cis-4,7-Dihydro-1,3-dioxepin
- IUPAC
- 4,7-dihydro-1,3-dioxepine
- English name
- 1,3-Dioxep-5-ene
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
cis-4,7-Dihydro-1,3-dioxepinRefChem:577341627-584-54,7-Dihydro-1,3-dioxepine5417-32-34,7-Dihydro-1,3-dioxepin1,3-Dioxepin, 4,7-dihydro-4,7-dihydro-2H-1,3-dioxepineMFCD00003264X47ELU9SUW1,3-dioxacyclohept-5-eneNSC-7404
Show more names
4,7-Dihydro-[1,3]dioxepine(Z)-4,7-dihydro-1,3-dioxepineCIS-4,7-DIHYDRO-1,3-DIOXEPINE
1,3-Dioxep-5-enecis-1,3-Dioxep-5-eneNSC74044,3-dioxepin1, 4,7-dihydro-AI3-24667UNII-X47ELU9SUWSCHEMBL27572
Database identifiers
- CAS
5417-32-3- PubChem CID
- 79446
- DTXSID
DTXSID50202517- UNII
- X47ELU9SUW
- EC Number
- 627-584-5
- Nikkaji
- J100.744K、J709.368C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60.5
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 125 · 125-127 °C (lit.)
- Density
- 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.457(lit.)
- Flash point
- 79 °F · 79 °F
- form
- liquid
- InChI
- 1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
- InChIKey
- BAKUAUDFCNFLBX-UHFFFAOYSA-N
- SMILES
- C1OCC=CCO1
- FDA UNII
- 47 ELU9SUW · X47ELU9SUW
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-29-33
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
Chemistry & industry
Applications
Uses4,7-dihydro-1,3-dioxepin derivatives undergoes hydroformylation to form optically active aldehydes.
General Description4,7-dihydro-1,3-dioxepin derivatives undergoes hydroformylation to form optically active aldehydes.
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
天津雅奥博远科技有限公司022-18902014291 18902014291 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海将来实业股份有限公司021-61552785 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
Related reactions
1 records
Compound notes
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