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Molecule
(4-Bromophenyl)Hydrazine
CAS: 589-21-9 · C6H7BrN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 589-21-9
- Molecular Formula
- C6H7BrN2
- Molecular Mass
- 187.04 g/mol
Identifiers
CAS Registry Number
589-21-9
SMILES
NNc1ccc(Br)cc1
InChI Key
NRESDXFFSNBDGP-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
Names and Synonyms
- (4-Bromophenyl)Hydrazine Common Name
- Hydrazine, (4-bromophenyl)- Synonym
- Hydrazine, (p-bromophenyl)- Synonym
- (4-Bromophenyl)hydrazine Synonym
- (p-Bromophenyl)hydrazine Synonym
- 1-(4-Bromophenyl)hydrazine Synonym
- NSC 190724 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.04 g/mol | CAS Common Chemistry |
| 187.04000000000002 g/mol | RDKit | |
| Canonical SMILES | BrC1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NRESDXFFSNBDGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | (4-Bromophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 1.7347000000000001 | RDKit |
| 1.7347 | RDKit | |
| Molar Refractivity | 41.9521 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 185.979260324 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 187.04 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7BrN2.
