7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene
Basic information
- CAS
877-06-5- Standard SMILES
CC(C)(C)OC1C2C=CC1C=C2- InChIKey
PTTSCAGWOHYHDN-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene
- IUPAC
- 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
- English name
- 7-tert-Butoxynorbornadiene
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene7-tert-butoxybicyclo[2.2.1]hepta-2,5-dieneEINECS 212-885-2DTXSID40236563NSC 120548RefChem:547049DTXCID70159054212-885-2877-06-57-tert-Butoxynorbornadiene7-(tert-butoxy)bicyclo[2.2.1]hepta-2,5-diene7-Norbornadienyl tert-butyl ether
Show more names
7-tert-Butoxynorborna7-TERT-BUTOXYNORBORNADIENE 97%7-tert-Butoxynorborna-2,5-diene7-tert-Butoxy-2,5-norbornadiene 96%
7-Norbornadienyl t-butyl ether7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene7-tert-Butoxy-2,5-norbornadiene7-Norbornadadienyl t-butyl etherMFCD00082303NSC1205487-t-butoxynorbornadieneSCHEMBL3954916
Database identifiers
- CAS
877-06-5- PubChem CID
- 70138
- DTXSID
DTXSID40236563- EC Number
- 212-885-2
- Nikkaji
- J195.167J、J953.389C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 70 · 70-72 °C/14 mmHg (lit.)
- Density
- 0.936 g/mL · 0.936 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 127 °F · 127 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C11H16O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-10H,1-3H3/t8-,9+,10
- InChIKey
- PTTSCAGWOHYHDN-ULKQDVFKSA-N
- SMILES
- CC(C)(C)OC1C2C=CC1C=C2
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk 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
- hs_code
- 2902190000
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243
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Related reactions
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Compound notes
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