Basic information
- CAS
2505-03-5- Standard SMILES
C=C1CCCCCC1- InChIKey
XJYOAWSHIQNEGC-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- Methylenecycloheptane
- IUPAC
- methylidenecycloheptane
- English name
- methylidenecycloheptane
- Molecular formula
- C8H14
- Molecular weight
- 0
Names & synonyms
Methylenecycloheptanemethylidenecycloheptane2505-03-5cycloheptane, methylene-DTXSID80179748RefChem:818600DTXCID40102239976-959-2InChI=1/C8H14/c1-8-6-4-2-3-5-7-8/h1-7HCycloheptane, methylenemethylene-cycloheptaneSCHEMBL104277
Show more names
SCHEMBL104278SCHEMBL9358586SCHEMBL10674824AKOS011393397EN300-61007
Database identifiers
- CAS
2505-03-5- PubChem CID
- 137620
- DTXSID
DTXSID80179748- EC Number
- 976-959-2
- Nikkaji
- J359.141G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72
Experimental & physicochemical properties
Kovats Retention Index861
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Asp. Tox. 1 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
2 records
Compound notes
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