4,4'-Ethylidenediphenyl dicyanate
Basic information
- CAS
47073-92-7- Standard SMILES
CC(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1- InChIKey
SIZDMAYTWUINIG-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 4,4'-Ethylidenediphenyl dicyanate
- IUPAC
- [4-[1-(4-cyanatophenyl)ethyl]phenyl] cyanate
- English name
- 1,1-Bis(4-cyanatophenyl)ethane
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
1,1-Bis(4-cyanatophenyl)ethane47073-92-74,4'-Ethylidenediphenyl dicyanateCyanic acid, ethylidenedi-4,1-phenylene esterCyanic acid, C,C'-(ethylidenedi-4,1-phenylene) esterDTXSID00904377EC 405-740-1RefChem:506698DTXCID301333536405-740-14,4'-(Ethane-1,1-diyl)bis(cyanatobenzene)[4-[1-(4-cyanatophenyl)ethyl]phenyl] cyanate
Show more names
Bisphenol E cyanate esterLECyPrimaset LECyBisphenol E DicyanateBisphenolEDicyanateEster4,4-BIS(PHENYL CYANATE)ETHANECyanato-terminated bisphenol E
MFCD01940877A7BQE38HPD1,-is(4-yanatophenyl)thaneSCHEMBL1399261,1-Bis(4-cyatophenyl)ethane4,4'-ethylidendiphenyldicyanateSIZDMAYTWUINIG-UHFFFAOYSA-NAKOS025310975
Database identifiers
- CAS
47073-92-7- PubChem CID
- 93247
- DTXSID
DTXSID00904377- UNII
- A7BQE38HPD
- EC Number
- 405-740-1、610-326-0
- Nikkaji
- J622.122J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 383 °C · 383°C
- Density
- 1.196 · 1.196
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Flash point
- 149 °C · 149°C
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light yellow to brown Liquid
- Water Solubility
- 1.6 mg/L · 1.6mg/L at 23℃
- InChI
- InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
- InChIKey
- SIZDMAYTWUINIG-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(OC#N)C=C1)C(C)C1C=CC(OC#N)=CC=1
- LogP
- 5.3 at · 5.3 at 0℃
- EWG's Food Scores
- 1 · 1-2
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4,4'-ethylidenediphenyl dicyanate (EC: 405-740-1)
Cyanic acid, ethylidenedi-4,1-phenylene ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- tsca
- TSCA listed
- risk_code
- 20/22-41-48/22-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-36/37/39-60-61
- Hazard statements
- H302-H318-H332-H373-H400-H410
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyanic acid, C,C'-(ethylidenedi-4,1-phenylene) ester: ACTIVE
Applications
UsesPrimaset(R) LECy is a low viscosity, liquid monomer suitable for filament winding, resin transfer molding (RTM), low cost vacuum-assisted RTM (VARTM), resin liquid infiltration pultrusion, reactive diluent, die attach adhesive and liquid encapsulation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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