Benzonitrile, 4,4'-oxybis-
Basic information
- CAS
6508-04-9- Standard SMILES
N#Cc1ccc(Oc2ccc(C#N)cc2)cc1- InChIKey
RSAUOQFEFINEDM-UHFFFAOYSA-N- Molecular formula
- C14H8N2O
- Average molar mass
- 220.23 g/mol
- Monoisotopic mass
- 220.06366288
Names & identifiers
- Preferred name
- Benzonitrile, 4,4'-oxybis-
- IUPAC
- 4-(4-cyanophenoxy)benzonitrile
- English name
- 4-Cyanophenyl ether
- Molecular formula
- C14H8N2O
- Molecular weight
- 220.23
Names & synonyms
Benzonitrile, 4,4'-oxybis-Benzonitrile, 4,4'-oxydi-DTXSID4064395EINECS 229-399-1NSC 87869Cyclohex-4-ene-1,2-dicarboxylic anhydrideRefChem:566214DTXCID9044457229-399-14-Cyanophenyl ether4,4'-Oxydibenzonitrile6508-04-9
Show more names
4,4'-Oxybis[benzonitrile4,4'-Oxybis(benzonitrile)Dibenzonitrile, 4,4'-oxy-
Bis(4-cyanophenyl) Ether4-(4-cyanophenoxy)benzonitrile4,4'-Dicyanodiphenyl etherMFCD00070640bis(4-cyanophenyl)etherBenzonitrile,4'-oxydi-Benzonitrile,4'-oxybis-Cambridge id 5128054
Database identifiers
- CAS
6508-04-9- PubChem CID
- 81004
- DTXSID
DTXSID4064395- EC Number
- 229-399-1
- Nikkaji
- J225.159K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 184 · 184-186°C
- Boiling point
- 220 °C · 220 °C / 1mmHg
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- EPA Substance Registry System
- 4 · Benzonitrile, 4,4'-oxybis- (6508-04-9)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazard Codes
- Xi
- RIDADR
- 3439 · 3439
- TSCA
- TSCA listed
- HS Code
- 2926.9 · 2926.90.4801
- HazardClass
- IRRITANT, IRRITANT-HARMFUL
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
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3439
- hs_code
- 2926.90.4801
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4,4'-oxybis-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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