Basic information
- CAS
22094-83-3- Standard SMILES
CCCCCCC1CC2C=CC1C2- InChIKey
WMWDGZLDLRCDRG-UHFFFAOYSA-N- Molecular formula
- C13H22
- Average molar mass
- 178.31 g/mol
- Monoisotopic mass
- 178.1721507
Names & identifiers
- Preferred name
- 5-endo-Hexyl-bicyclo(2.2.1)hept-2-ene
- IUPAC
- 5-hexylbicyclo[2.2.1]hept-2-ene
- English name
- 5-hexylbicyclo[2.2.1]hept-2-ene
- Molecular formula
- C13H22
- Molecular weight
- 178.31
Names & synonyms
Bicyclo[2.2.1]hept-2-ene, 5-hexyl-5-hexylbicyclo[2.2.1]hept-2-eneBicyclo(2.2.1)hept-2-ene, 5-hexyl-5-endo-Hexyl-bicyclo(2.2.1)hept-2-eneDTXSID60885193EC 435-000-35-Hexylbicyclo(2.2.1)hept-2-ene5-endo-hexyl-bicyclo[2.2.1]hept-2-eneRefChem:535396DTXCID501024587435-000-322094-83-3
Show more names
5-hexyl-2-norbornene5-hexylbicyclo(2,2,1)-2-heptene5-n-hexyl-2-norborneneSCHEMBL148032SCHEMBL8511957SCHEMBL8511958SCHEMBL20472174DB-382689
Database identifiers
- CAS
22094-83-3- PubChem CID
- 21584940
- DTXSID
DTXSID60885193- EC Number
- 435-000-3
- Nikkaji
- J1.229.866H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 237.4 · 237.4±7.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-2-ene, 5-hexyl- (22094-83-3)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 304 · H304-H315-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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
Danger
H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Danger
H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2327
Hazard Classes and Categories
Aspiration hazard - category 1
Asp. Tox. 1
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H304-H315-H413
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]hept-2-ene, 5-hexyl-: ACTIVE
Suppliers5 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海天时化工有限公司021-57951555 · [email protected]
上海天时化工有限公司+86-021-57951555 +8618017249410 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
4 records
Compound notes
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