Basic information
- CAS
138313-45-8- Standard SMILES
C#CC1(C#N)CCCCC1- InChIKey
RJKHNDIOAQTVLX-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914936
Names & identifiers
- Preferred name
- 1-Ethynylcyclohexane-1-carbonitrile
- IUPAC
- 1-ethynylcyclohexane-1-carbonitrile
- English name
- Cyclohexanecarbonitrile, 1-ethynyl- (9CI)
- Molecular formula
- C9H11N
- Molecular weight
- 133.19034
Names & synonyms
1-ethynylcyclohexane-1-carbonitrile138313-45-8Cyclohexanecarbonitrile, 1-ethynyl-RJKHNDIOAQTVLX-UHFFFAOYSA-N1-Ethynylcyclohexanecarbonitrile #DB-286323Cyclohexanecarbonitrile, 1-ethynyl- (9CI)
Database identifiers
- CAS
138313-45-8- PubChem CID
- 583255
- EC Number
- 171-257-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 203
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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