Basic information
- CAS
5309-14-8- Standard SMILES
CC(C)=NNc1nc(Cl)c(C#N)c(Cl)c1Cl- InChIKey
DQOPLAKSLPWWBL-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3N4
- Average molar mass
- 277.5 g/mol
- Monoisotopic mass
- 275.973629
Names & identifiers
- Preferred name
- 2,4,5-Trichloro-6-(2-(propan-2-ylidene)hydrazinyl)nicotinonitrile
- IUPAC
- 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile
- English name
- 4-CYANO-4-(4-METHOXYPHENYL)CYCLOHEXANONE
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.27
Names & synonyms
DTXSID10967610HMS1580G22AKOS022099085AB00079939-01SR-01000203909SR-01000203909-12,4,5-trichloro-6-(2-(propan-2-ylidene)hydrazinyl)nicotinonitrile2,4,5-trichloro-6-[2-(1-methylethylidene)hydrazino]nicotinonitrile2,4,5-Trichloro-6-[(propan-2-ylidene)hydrazinylidene]-1,6-dihydropyridine-3-carbonitrile4-CYANO-4-(4-METHOXYPHENYL)CYCLOHEXANONE1-(4-Methoxyphenyl)-4-oxocyclohexanecarbonitrile1-(4-Methoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Show more names
Cyclohexanecarbonitrile, 1-(4-methoxyphenyl)-4-oxo-
Database identifiers
- CAS
5309-14-8- PubChem CID
- 793987
- DTXSID
DTXSID10967610
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
郑州爱希医药科技有限公司0371-56787280 13137706083 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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