Basic information
- CAS
27389-83-9- Standard SMILES
N#CC(C#N)=Cc1ccc(OCc2ccccc2)cc1- InChIKey
GBQGNEMSQIQFRK-UHFFFAOYSA-N- Molecular formula
- C17H12N2O
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.09496301
Names & identifiers
- Preferred name
- Malononitrile, (p-(benzyloxy)benzylidene)-
- IUPAC
- 2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile
- English name
- Propanedinitrile, 2-[[4-(phenylmethoxy)phenyl]methylene]-
- Molecular formula
- C17H12N2O
- Molecular weight
- 260.29
Names & synonyms
MALONONITRILE, (p-(BENZYLOXY)BENZYLIDENE)-27389-83-9DTXSID10181814RefChem:1088775DTXCID501043052-[4-(benzyloxy)benzylidene]malononitrile2-(4-BENZYLOXY-BENZYLIDENE)-MALONONITRILEBRN 2125672p-BenzyloxybenzylidenemalononitrileOprea1_046290Oprea1_160279SCHEMBL8167160
Show more names
2-[[4-(Phenylmethoxy)phenyl]methylene]propanedinitrilePropanedinitrile, 2-[[4-(phenylmethoxy)phenyl]methylene]-
GBQGNEMSQIQFRK-UHFFFAOYSA-NAKOS0011118392-(4-benzyloxybenzylidene)-malononitrileST097764{[4-(Benzyloxy)phenyl]methylidene}propanedinitrileZ26177990{[4-(phenylmethoxy)phenyl]methylene}methane-1,1-dicarbonitrile
Database identifiers
- CAS
27389-83-9- PubChem CID
- 33804
- DTXSID
DTXSID10181814- EC Number
- 167-642-2
- Nikkaji
- J41.615K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 156 °C · 156 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 457.4 · 457.4±35.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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