Benzophenone hydrazone
- Iupac Name：benzhydrylidenehydrazine
- CAS No.: 5350-57-2
- Molecular Weight：196.253
- Modify Date.: 2022-10-27 23:28
- Introduction: white to light yellow crystal powde
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1. Names and Identifiers
- 1.1 Name
- Benzophenone hydrazone
- 1.2 Synonyms
(Diphenylmethylene)hydrazine (diphenylmethylidene)hydrazine 1-Benzhydrylidenehydrazine 3-iodo-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide Benzophenone hydrazo BENZOPHENONE HYDROZONE Benzophenone, hydrazone benzophenonehydrazone Benzophenoneimine N-amino Benzophenonhydrazone Di(phenyl)methylidenehydrazine diphenyl hydrazone Diphenyl ketone hydrazone Diphenyldiazomethane precursor diphenylketohydrazone diphenylketonehydrazone Diphenylmethanone hydrazone Diphenyl-methanone Hydrazone diphenyl-methanonhydrazone Diphenylmethylidenehydrazine EINECS 226-321-8 Ht--103 Benzophenonehydrazone (Bph) HYDRAZINE OF BENZOPHENONE Methanone, diphenyl-, hydrazone MFCD00007624 N-(Diphenylmethylene)hydrazine NSC 43 Starting for diphenyldiazomethane
- 1.3 CAS No.
- 5350-57-2
- 1.4 CID
- 79304
- 1.5 EINECS(EC#)
- 226-321-8
- 1.6 Molecular Formula
- C13H12N2 (isomer)
- 1.7 Inchi
- InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
- 1.8 InChkey
- QYCSNMDOZNUZIT-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2
2. Properties
- 2.1 Density
- 225
- 2.1 Melting point
- 95-99℃
- 2.1 Boiling point
- 225-230℃ (55 mmHg)
- 2.1 Refractive index
- 1.677
- 2.1 Flash Point
- 146 C
- 2.1 Precise Quality
- 196.10000
- 2.1 PSA
- 38.38000
- 2.1 logP
- 3.09800
- 2.1 Solubility
- Soluble in ether, benzene, chloroform and other organic solvents.
- 2.2 Appearance
- white crystalline powder
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- white to light yellow crystal powde
- 2.5 Color/Form
- White to yellow
- 2.6 pKa
- 1.44±0.70(Predicted)
- 2.7 Water Solubility
- Appearance:white crystalline powder
Transport Information:25kgs
Hazard Symbols:UN NO.
- 2.8 Stability
- Stable under normal temperatures and pressures.
- 2.9 StorageTemp
- 0-6°C
3. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Risk Statements
- R22
- 3.1 Safety Statements
- S22;S24/25
- 3.1 Packing Group
- III
- 3.1 Hazard Class
- 6.1
- 3.1 RIDADR
- 25kgs
- 3.1 WGK Germany
- 3
- 3.1 RTECS
- PC4954487
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Danger |
| Hazard statement(s) | H301 Toxic if swallowed H317 May cause an allergic skin reaction H411 Toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
5350-57-2Total: 6 Synthesis Route
8. Other Information
- 8.0 Usage
- An important compound in organic photochemistry and perfumery as well as in organic synthesis. Used in the antibiotics synthesis of 6-APA and 7-ACA of the carboxyl protecting groups and other organic compounds. Used as organic pigment and medical intermediate. It is used as a photoinitiator of UV-curing applications in inks, adhesive, coatings and optical fiber.
9. Computational chemical data
- Molecular Weight: 196.253g/mol
- Molecular Formula: C13H12N2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 196.100048391
- Monoisotopic Mass: 196.100048391
- Complexity: 191
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 38.4
- Heavy Atom Count: 15
- 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAYAAAADAiBGAAwAIACAACgAyBiAAACAAAgAAAIiAAgAJgIIKKAERCAIAAggAAIiAcAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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