benzenediazonium chloride
- Iupac Name：benzenediazonium;chloride
- CAS No.: 100-34-5
- Molecular Weight：140.5703
- Modify Date.: 2022-12-09 09:44
1. Names and Identifiers
- 1.1 Name
- benzenediazonium chloride
- 1.2 Synonyms
Benzenediazonium Chloride
DISCONTINUED diazobenzene chloride Edaravone Impurity 1 Temozolomide Impurity 14
- 1.3 CAS No.
- 100-34-5
- 1.4 CID
- 60992
- 1.5 EINECS(EC#)
- 202-842-6
- 1.6 Molecular Formula
- C6H5ClN2 (isomer)
- 1.7 Inchi
- CLRSZXHOSMKUIB-UHFFFAOYSA-M
- 1.8 InChIkey
- CLRSZXHOSMKUIB-UHFFFAOYSA-M
- 1.9 Canonical Smiles
- [Cl-].N#[N+]C1=CC=CC=C1
- 1.10 Isomers Smiles
- [Cl-].N#[N+]C1=CC=CC=C1
2. Properties
- 2.1 Density
- 1.2625 (rough estimate)
- 2.1 Melting point
- 191-197 °C
- 2.1 Boiling point
- 228.71°C (rough estimate)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
100-34-5Total: 58 Synthesis Route
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Literatures:
Postowsky; Lugowkin; Mandryk Chemische Berichte, 1936 , vol. 69, p. 1913,1915 Zhurnal Obshchei Khimii, 1937 , vol. 7, p. 37,39 Chem. Zentralbl., 1937 , vol. 108, # II p. 1561
Yield: ~%
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6. Other Information
- 6.0 Chemical Properties
- Ionic salt. Very soluble in water; insoluble in most organic solvents.
- 6.1 Uses
- Dye intermediate.
- 6.2 Hazard
- Highly toxic. Can explode on heating.
- 6.3 Safety Profile
- Potentially explosive when dry.Potentially explosive reaction with potassium omethyldithiocarbonate.When heated to decomposition itemits toxic fumes of Cl- and NOx.
7. Computational chemical data
- Molecular Weight: 140.5703g/mol
- Molecular Formula: C6H5ClN2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 140.0141259
- Monoisotopic Mass: 140.0141259
- Complexity: 105
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 28.2
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcYBjAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAIAAAACAiBEAAwwIAAAACAACRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABggAAIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
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If we heat BDC with water then phenol is formed. I was wondering what would happen if we heated dry benzenediazonium chloride. I know that on heating benzenediazonium fluoroborate we obtain fluoroben..
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In my textbook, all that was told was that ethanol is a mild reducing agent and hence reduces BDC while oxidising itself. Is there any mechanism or am I just supposed to remember this like a redox re..
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10. Realated Product Infomation
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