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Molecule
Terephthalic Dihydrazide
CAS: 136-64-1 · C8H10N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 136-64-1
- Molecular Formula
- C8H10N4O2
- Molecular Mass
- 194.19 g/mol
Identifiers
CAS Registry Number
136-64-1
SMILES
NNC(=O)c1ccc(C(=O)NN)cc1
InChI Key
ALHNLFMSAXZKRC-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)
Names and Synonyms
- Terephthalic Dihydrazide Common Name
- 1,4-Benzenedicarboxylic acid, 1,4-dihydrazide Synonym
- Terephthalic acid, dihydrazide Synonym
- 1,4-Benzenedicarboxylic acid, dihydrazide Synonym
- Terephthaloyl dihydrazide Synonym
- Terephthalic hydrazide Synonym
- Terephthalic acid bishydrazide Synonym
- Terephthalic dihydrazide Synonym
- Terephthalic acid hydrazide Synonym
- Terephthaloyl hydrazide Synonym
- NSC 29538 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.19 g/mol | CAS Common Chemistry |
| 194.194 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(C=C1)C(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=ALHNLFMSAXZKRC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C | CAS Common Chemistry |
| Name | Terephthalic dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 110.24 Ų | RDKit |
| LogP | -1.1063999999999996 | RDKit |
| -1.1064 | RDKit | |
| Molar Refractivity | 49.7492 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 194.08037556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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20
0 ppm
| 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 = 194.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N4O2.
