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Molecule
Saytex Bt 93
CAS: 32588-76-4 · C18H4Br8N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32588-76-4
- Molecular Formula
- C18H4Br8N2O4
- Molecular Mass
- 951.47 g/mol
Identifiers
CAS Registry Number
32588-76-4
SMILES
O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O
InChI Key
DYIZJUDNMOIZQO-UHFFFAOYSA-N
InChI
InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2
Names and Synonyms
- Saytex Bt 93 Common Name
- 1H-Isoindole-1,3(2H)-dione, 2,2′-(1,2-ethanediyl)bis[4,5,6,7-tetrabromo- Synonym
- Phthalimide, N,N′-ethylenebis[tetrabromo- Synonym
- 2,2′-(1,2-Ethanediyl)bis[4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione] Synonym
- N,N′-Ethylenebis(tetrabromophthalimide) Synonym
- Citex BT 93 Synonym
- 1,2-Bis(tetrabromophthalimido)ethane Synonym
- Saytex BT 93 Synonym
- BT 93 Synonym
- BT 93W Synonym
- Saytex BT 93W Synonym
- BT 93WFG Synonym
- Chemguard 952 Synonym
- EcoFlame B 951 Synonym
- Saytex BT 93W1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 951.47 g/mol | CAS Common Chemistry |
| 951.472 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C(Br)=C(Br)C(Br)=C(Br)C2C(=O)N1CCN3C(=O)C=4C(Br)=C(Br)C(Br)=C(Br)C4C3=O | CAS Common Chemistry |
| InChI | InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DYIZJUDNMOIZQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 456.0 °C | CAS Common Chemistry |
| Name | Saytex BT 93 | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.76 Ų | RDKit |
| 74.3 Ų | chempirical lib | |
| LogP | 7.6788000000000025 | RDKit |
| 7.6788 | RDKit | |
| 7.13 | chempirical lib | |
| Molar Refractivity | 145.21799999999996 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 943.3638034080002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 951.47 g/mol. Edit any field — others recompute live.
