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3,5-DICHLOROPHENYLHYDRAZINE
- Iupac Name：(3,5-dichlorophenyl)hydrazine
- CAS No.: 39943-56-1
- Molecular Weight：177.03
- Modify Date.: 2022-11-24 16:42
- Introduction:
3,5-DICHLOROPHENYLHYDRAZINE, with the chemical formula C6H6Cl2N2 and CAS registry number 39943-56-1, is a compound known for its applications in various chemical processes. This colorless solid, also referred to as 3,5-Dichlorobenzenediazonium chloride, is characterized by its dichloro and phenylhydrazine functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of dichloro and phenylhydrazine moieties into different molecules. 3,5-DICHLOROPHENYLHYDRAZINE has been studied for its potential use in the development of pharmaceuticals and agrochemicals due to its unique chemical properties. It is important to handle this compound with caution as it may be toxic and harmful if ingested, inhaled, or in contact with the skin. Further research and experimentation are ongoing to explore the full range of applications and potential benefits of 3,5-DICHLOROPHENYLHYDRAZINE in various industries.
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1. Names and Identifiers
- 1.1 Name
- 3,5-DICHLOROPHENYLHYDRAZINE
- 1.2 Synonyms
Hydrazine, (3,5-dichlorophenyl)-
- 1.3 CAS No.
- 39943-56-1
- 1.4 CID
- 600469
- 1.5 EINECS(EC#)
- 000-000-0
- 1.6 Molecular Formula
- C6H6Cl2N2 (isomer)
- 1.7 Inchi
- InChI=1S/C6H6Cl2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,10H,9H2
- 1.8 InChIkey
- ZQOCIFROLPHOEF-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=C(C=C(C=C1Cl)Cl)NN
- 1.10 Isomers Smiles
- C1=C(C=C(C=C1Cl)Cl)NN
2. Properties
- 2.1 Density
- 1.475
- 2.1 Melting point
- 111-114°C
- 2.1 Boiling point
- 286.1 °C at 760 mmHg
- 2.1 Refractive index
- 1.665
- 2.1 Flash Point
- 126.8 °C
- 2.1 Precise Quality
- 175.99100
- 2.1 PSA
- 38.05000
- 2.1 logP
- 3.05230
- 2.1 Solubility
- at 25 deg C (mg/L): 946.7
- 2.2 Storage
- Ambient temperatures.
- 2.3 pKa
- 4?+-.0.10(Predicted)
- 2.4 Water Solubility
- at 25 deg C (mg/L): 946.7
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R20/21/22
- 3.1 Safety Statements
- S22;S36/37
- 3.1 Hazard Class
- IRRITANT-HARMFUL
- 3.1 RIDADR
- 2811
4. 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
39943-56-1Total: 4 Synthesis Route
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Literatures:
Nagarajan, K.; Talwalker, P.K.; Kulkarni, C.L.; Venkateswarlu, A.; Prabhu, S.S.; Nayak, G.V.
Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 12 p. 1243 - 1257
Yield: null
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7. Computational chemical data
- Molecular Weight: 177.03g/mol
- Molecular Formula: C6H6Cl2N2
- Compound Is Canonicalized: True
- XLogP3-AA: 2.4
- Exact Mass: 175.9908036
- Monoisotopic Mass: 175.9908036
- Complexity: 99.9
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 38
- Heavy Atom Count: 10
- 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: 1
- CACTVS Substructure Key Fingerprint: AAADcYBjAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIYAAAACAqBECAwwIBiAACAACRCQACCBAAgBwIQqAAAZogIICKBk5GAIABgkAAIyAcQAAAAAAAAAAKAAAAAAAAABQAAAAAAAAAAAA==
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