Bicyclobutylidene
Basic information
- CAS
6708-14-1- Standard SMILES
C1CC(=C2CCC2)C1- InChIKey
ANQVAFUCYRTKOQ-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
structure in first source
Names & identifiers
- Preferred name
- Bicyclobutylidene
- IUPAC
- cyclobutylidenecyclobutane
- English name
- dicyclobutylidene
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
Dicyclobutylidene6708-14-1BicyclobutylideneDTXSID90217387RefChem:586864DTXCID90139878Cyclobutylidenecyclobutane1,1'-bi(cyclobutylidene).delta.-1,1'-BicyclobutylCyclobutylidinecyclobutanedelta-1,1'-BicyclobutylCyclobutane, cyclobutylidine-
Show more names
Δ1,1'-BicyclobutaneΔ1,1'-Bi[cyclobutane]Δ1,1'-Bi(cyclobutane)Cyclobutylidencylclobutane
BICYCLOBUTYLIDINEBRN 20367691,1'-BicyclobutylideneCyclobutane, cyclobutylidene-SCHEMBL875668ANQVAFUCYRTKOQ-UHFFFAOYSA-NAKOS006273888EN300-7587477
Database identifiers
- CAS
6708-14-1- PubChem CID
- 23174
- DTXSID
DTXSID90217387- EC Number
- 967-431-2
- Nikkaji
- J81.269B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 137.85 °C · 137.85°C (rough estimate)
- Density
- 0.8341 · 0.8341 (estimate)
- refractive index
- 1.477 · 1.4770 (estimate)
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 2610 mg/kg GTPZAB 28(5),55,1984
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- Toxicity
- LD50 orl-mus: 2610 mg/kg GTPZAB 28(5),55,1984
Suppliers
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Related reactions
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Compound notes
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