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Molecule
2-Bromophenylhydrazine Hydrochloride
CAS: 50709-33-6 · C6H8BrClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50709-33-6
- Molecular Formula
- C6H8BrClN2
- Molecular Mass
- 223.50 g/mol
Identifiers
CAS Registry Number
50709-33-6
SMILES
Cl.NNc1ccccc1Br
InChI Key
PHCYUJRYSFMJMG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BrN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
Names and Synonyms
- 2-Bromophenylhydrazine Hydrochloride Synonym
- Hydrazine, (2-bromophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (2-bromophenyl)-, monohydrochloride Synonym
- Hydrazine, (o-bromophenyl)-, hydrochloride Synonym
- 2-Bromophenylhydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.50 g/mol | CAS Common Chemistry |
| 223.50099999999998 g/mol | RDKit | |
| 223.501 g/mol | RDKit | |
| 223.498 g/mol | chempirical lib | |
| Canonical SMILES | Cl.BrC=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7BrN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PHCYUJRYSFMJMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C (decomp) | CAS Common Chemistry |
| Name | 2-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 | 2.1565000000000003 | RDKit |
| 2.1565 | RDKit | |
| 2.13 | chempirical lib | |
| Molar Refractivity | 49.20010000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.955938036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
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 |
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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 = 223.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8BrClN2.
