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Bisphenol A Dicyanate
CAS: 1156-51-0 | C17H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1156-51-0
Molecular Formula:
C17H14N2O2
Molecular Mass:
278.31 g/mol
Names and Synonyms:
Bisphenol A Dicyanate
Cyanic acid, C,C′-[(1-methylethylidene)di-4,1-phenylene] ester
Cyanic acid, isopropylidenedi-p-phenylene ester
Cyanic acid, (1-methylethylidene)di-4,1-phenylene ester
4,4′-Dicyanatodiphenyldimethylmethane
Bisphenol A dicyanate
Isopropylidenedi-p-phenylene cyanate
2,2-Bis(4-cyanatophenyl)propane
4,4′-Isopropylidenediphenyl dicyanate
Dian dicyanate
2,2-Bis(p-cyanatophenyl)propane
AroCy B 10
Dicyanatobisphenol A
AroCy B 40S
AroCy B 40
Skylex CA 260
B 10
KU 6537
Skylex CA 200
B 40
Primaset BADCY
NSC 646242
BADCY
CX (cyanate ester)
CX
B 40S
HF 1
HF 1 (cyanate ester)
CA 210
Bandy
HF 10
Bisphenol A cyanate
BA 3000
Lonza BADCY
Primaset BA 3000
4,4′-Isopropylidene diphenylcyanate
Cytester TA
CE 01MO
TA 1500
Identifiers:
SMILES:
CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1
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
Key Properties
Melting Point
77-80 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.31 g/mol | CAS Common Chemistry |
| 278.311 g/mol | RDKit | |
| 278.105527688 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 |
| LogP | 3.732260000000003 | RDKit |
| Molar Refractivity | 77.49400000000004 | RDKit |
