Basic information
- CAS
78338-67-7- Standard SMILES
COc1ccccc1Oc1ccc(C#N)cc1- InChIKey
WCBJZVLPHCVODR-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 4-(2-Methoxyphenoxy)benzonitrile
- IUPAC
- 4-(2-methoxyphenoxy)benzonitrile
- English name
- 4-(2-methoxyphenoxy)benzonitrile
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
4-(2-methoxyphenoxy)benzonitrile78338-67-7MFCD09705472Benzonitrile, 4-(2-methoxyphenoxy)-SCHEMBL920146WCBJZVLPHCVODR-UHFFFAOYSA-NAKOS000222277BS-32800DA-22805I82905JR-13420, 4-(2-Methoxyphenoxy)benzonitrile, 97%
Database identifiers
- CAS
78338-67-7- PubChem CID
- 10059541
- Nikkaji
- J1.923.835K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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