Basic information
- CAS
440353-70-8- Standard SMILES
N#Cc1ccccc1S(=O)(=O)N1CCCCC1- InChIKey
JLIANLCKGMVFKF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- 2-(Piperidine-1-sulfonyl)benzonitrile
- IUPAC
- 2-piperidin-1-ylsulfonylbenzonitrile
- English name
- 2-(Piperidin-1-ylsulfonyl)benzonitrile
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 250.32
Names & synonyms
440353-70-82-(piperidine-1-sulfonyl)benzonitrileRefChem:461928100-817-32-(piperidin-1-ylsulfonyl)benzonitrile2-piperidin-1-ylsulfonylbenzonitrile2-(piperidylsulfonyl)benzenecarbonitrileOprea1_6445582-(1-piperidylsulfonyl)benzonitrileQSA35370SBB055377AKOS000198412
Show more names
Benzonitrile, 2-(1-piperidinylsulfonyl)-
TS-03418CS-0243384ST50134615EN300-26315G30611SR-01000266707SR-01000266707-1Z45498123
Database identifiers
- CAS
440353-70-8- PubChem CID
- 698002
- EC Number
- 100-817-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
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
Suppliers7 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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