Cycloocta-1,3-diene

HCID 15550
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Basic information

CAS
3806-59-5
Standard SMILES
C1=CCCCCC=C1
InChIKey
RRKODOZNUZCUBN-UHFFFAOYSA-N
Molecular formula
C8H12
Average molar mass
108.18 g/mol
Monoisotopic mass
108.09390038

Names & identifiers

Preferred name
Cycloocta-1,3-diene
IUPAC
cycloocta-1,3-diene
English name
1,3-Cyclooctadiene
Molecular formula
C8H12
Molecular weight
108.18

Names & synonyms

cycloocta-1,3-diene1,3-Cyclooctadiene, (Z,Z)-ACMC-1CC5BSCHEMBL29665SCHEMBL29666SCHEMBL120612SCHEMBL834447SCHEMBL834963SCHEMBL835870SCHEMBL905813SCHEMBL2589513SCHEMBL4533935
Show more names
1,3-COD1,3-CyclooctadieneCYCLOOCTADIENE-1,3(1Z,3Z)-1,3-CyclooctadieneCIS, CIS-1,3-CYCLOOCTADIENEcis,cis-1,3-Cyclooctadiene 98%CIS CIS-1 3-CYCLOOCTADIENE 95%cis,cis-1,3-Cyclooctadiene
SCHEMBL25227011RRKODOZNUZCUBN-UHFFFAOYSA-NBAA70010NS00083062F981362

Database identifiers

CAS
3806-59-5
PubChem CID
15550

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
53 · −53-−51 °C(lit.)
Boiling point
55 °C34 · 55 °C34 mm Hg(lit.)
Density
0.873 g/mL · 0.873 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.494
Flash point
76 °F · 76 °F
storage temp.
2 · 2-8°C

Safety & regulation

Hazard information

Regulatory Informationcis, cis 1,3-Cyclooctadiene: HSNO Approval: HSR001115 Approved with controls

Regulatory information

Regulatory Informationcis, cis 1,3-Cyclooctadiene: HSNO Approval: HSR001115 Approved with controls

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2520
risk_code
10-36/38-65-36/37/38-25
Signal word
Danger
Symbol(GHS)
GHS02,GHS06

Chemistry & industry

Applications

Uses1,3-Cyclooctadiene is a reagent used in the synthesis of catalytically active membranelike devices.

General DescriptionThe photosensitized cyclization of cis,cis-1,3-cyclooctadiene to bicyclo[4.2.0]oct-7-ene was studied. It proceeded by first isomerization of the diene to its cis, trans isomer followed by cyclization.

Suppliers19 total

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [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]

Related reactions

2 records
New reaction record

Compound notes

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