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(4-Bromophenyl)Hydrazine
CAS: 589-21-9 | C6H7BrN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
589-21-9
Molecular Formula:
C6H7BrN2
Molecular Mass:
187.04 g/mol
Names and Synonyms:
(4-Bromophenyl)Hydrazine
Hydrazine, (4-bromophenyl)-
Hydrazine, (p-bromophenyl)-
(4-Bromophenyl)hydrazine
(p-Bromophenyl)hydrazine
1-(4-Bromophenyl)hydrazine
NSC 190724
Identifiers:
SMILES:
NNc1ccc(Br)cc1
InChI:
InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
Key Properties
Melting Point
108 °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 | 187.04 g/mol | CAS Common Chemistry |
| 187.04000000000002 g/mol | RDKit | |
| 185.979260324 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 |
| Molar Refractivity | 41.9521 | RDKit |
