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3-Bromophenylhydrazine Hydrochloride
CAS: 27246-81-7 | C6H8BrClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27246-81-7
Molecular Formula:
C6H8BrClN2
Molecular Mass:
223.50 g/mol
Names and Synonyms:
3-Bromophenylhydrazine Hydrochloride
Hydrazine, (3-bromophenyl)-, hydrochloride (1:1)
Hydrazine, (m-bromophenyl)-, monohydrochloride
Hydrazine, (3-bromophenyl)-, monohydrochloride
Hydrazine, (m-bromophenyl)-, hydrochloride
m-Bromphenylhydrazine hydrochloride
3-Bromophenylhydrazine hydrochloride
1-(3-Bromophenyl)hydrazine hydrochloride
Identifiers:
SMILES:
Cl.NNc1cccc(Br)c1
InChI:
InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
Key Properties
Melting Point
228-230 °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 | 223.50 g/mol | CAS Common Chemistry |
| 223.50099999999998 g/mol | RDKit | |
| 221.955938036 g/mol | RDKit | |
| Canonical SMILES | Cl.BrC1=CC=CC(=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RPYIPFXHIKXRKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 228-230 °C | CAS Common Chemistry |
| Name | 3-Bromophenylhydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.1564999999999994 | RDKit |
| Molar Refractivity | 49.200100000000006 | RDKit |
