Tricyclo(2.2.1.02,6)heptane
Basic information
- CAS
279-19-6- Standard SMILES
C1C2CC3C1C3C2- InChIKey
BYBGSCXPMGPLFP-UHFFFAOYSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- Tricyclo(2.2.1.02,6)heptane
- IUPAC
- tricyclo[2.2.1.02,6]heptane
- English name
- Tricyclo[2.2.1.0(2,6)]heptane
- Molecular formula
- C7H10
- Molecular weight
- 94.15
Names & synonyms
Nortricyclene279-19-6Tricyclo[2.2.1.02,6]heptaneTricyclo(2.2.1.02,6)heptaneME44RD0BVITricyclo[2.2.1.0(2,6)]heptaneUNII-ME44RD0BVINSC 78724NSC-78724tricyclo[2.2.1.0~2,6~]heptaneDTXSID90182187Tricyclo(2.2.1.0)heptane
Show more names
2,6-CyclonorbornaneTricyclo[2.2.1.03,5]heptane(1R,2S,4S,6r)-Tricyclo[2.2.1.0~2,6~]heptane
Tricyclo[2.2.1.0]heptaneTricyclo[2.2.1.0dimethyl2dimethyl,dimethyl6]heptanetricyclo(2.2.1.0~2,6~)heptaneTricyclo(2.2.1.0(2,6))heptaneTricyclo(2.2.1.0dimethyl2dimethyl,dimethyl6)heptaneRefChem:191386DTXCID00104678BYBGSCXPMGPLFP-UHFFFAOYSA-N
Database identifiers
- CAS
279-19-6- PubChem CID
- 78962
- DTXSID
DTXSID90182187- UNII
- ME44RD0BVI
- EC Number
- 687-318-9
- Nikkaji
- J5.450J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.4
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Boiling point
- 110.68 °C · 110.68°C (rough estimate)
- Density
- 0.91 · 0.9100 (rough estimate)
- refractive index
- 1.548 · 1.5480 (estimate)
- FDA UNII
- 44 RD0BVI · ME44RD0BVI
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Note
- Harmful
- HS Code
- 2902190000 · 2902190000
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2902190000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_note
- Harmful
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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