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Molecule
Bisphenol A Dicyanate
CAS: 1156-51-0 · C17H14N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1156-51-0
- Molecular Formula
- C17H14N2O2
- Molecular Mass
- 278.31 g/mol
Identifiers
CAS Registry Number
1156-51-0
SMILES
CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1
InChI Key
AHZMUXQJTGRNHT-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3
Names and Synonyms
- Bisphenol A Dicyanate Common Name
- Cyanic acid, C,C′-[(1-methylethylidene)di-4,1-phenylene] ester Synonym
- Cyanic acid, isopropylidenedi-p-phenylene ester Synonym
- Cyanic acid, (1-methylethylidene)di-4,1-phenylene ester Synonym
- 4,4′-Dicyanatodiphenyldimethylmethane Synonym
- Bisphenol A dicyanate Synonym
- Isopropylidenedi-p-phenylene cyanate Synonym
- 2,2-Bis(4-cyanatophenyl)propane Synonym
- 4,4′-Isopropylidenediphenyl dicyanate Synonym
- Dian dicyanate Synonym
- 2,2-Bis(p-cyanatophenyl)propane Synonym
- AroCy B 10 Synonym
- Dicyanatobisphenol A Synonym
- AroCy B 40S Synonym
- AroCy B 40 Synonym
- Skylex CA 260 Synonym
- B 10 Synonym
- KU 6537 Synonym
- Skylex CA 200 Synonym
- B 40 Synonym
- Primaset BADCY Synonym
- NSC 646242 Synonym
- BADCY Synonym
- CX (cyanate ester) Synonym
- CX Synonym
- B 40S Synonym
- HF 1 Synonym
- HF 1 (cyanate ester) Synonym
- CA 210 Synonym
- Bandy Synonym
- HF 10 Synonym
- Bisphenol A cyanate Synonym
- BA 3000 Synonym
- Lonza BADCY Synonym
- Primaset BA 3000 Synonym
- 4,4′-Isopropylidene diphenylcyanate Synonym
- Cytester TA Synonym
- CE 01MO Synonym
- TA 1500 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.31 g/mol | CAS Common Chemistry |
| 278.311 g/mol | RDKit | |
| Canonical SMILES | N#COC1=CC=C(C=C1)C(C2=CC=C(OC#N)C=C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AHZMUXQJTGRNHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77-80 °C | CAS Common Chemistry |
| Name | Bisphenol A dicyanate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.03999999999999 Ų | RDKit |
| 66.04 Ų | RDKit | |
| LogP | 3.732260000000003 | RDKit |
| 3.7323 | RDKit | |
| Molar Refractivity | 77.49400000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 278.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 278.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H14N2O2.
