4-Chlorophenylhydrazine hydrochloride
- Iupac Name：(4-chlorophenyl)hydrazine;hydrochloride
- CAS No.: 1073-70-7
- Molecular Weight：179.04
- Modify Date.: 2022-12-09 09:38
1. Names and Identifiers
- 1.1 Name
- 4-Chlorophenylhydrazine hydrochloride
- 1.2 Synonyms
1-(4-CHLOROPHENYL)HYDRAZINE HYDROCHLORIDE 4-CHLORO PHENYL HYDRAZXINE HYDROCHLORIDE 4-Hydrazino-1-chlorobenzene hydrochloride CHLOROPHENYLHYDRAZINE(4-) HCL Hydrazine, (4-chlorophenyl)-, monohydrochloride LABOTEST-BB LT01147712
- 1.3 CAS No.
- 1073-70-7
- 1.4 CID
- 71600
- 1.5 EINECS(EC#)
- 214-030-9
- 1.6 Molecular Formula
- C6H8Cl2N2 (isomer)
- 1.7 Inchi
- YQVZREHUWCCHHX-UHFFFAOYSA-N
- 1.8 InChIkey
- YQVZREHUWCCHHX-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- Cl[H].NNC1=CC=C(Cl)C=C1
- 1.10 Isomers Smiles
- Cl[H].NNC1=CC=C(Cl)C=C1
2. Properties
- 2.1 Melting point
- 216?°C (dec.)(lit.)
- 2.1 StorageTemp
- Keep in dark place,Inert atmosphere,Room temperature
3. Safety and Handling
- 3.1 Hazard Codes
- Xn,Xi
- 3.1 Risk Statements
- 20/21/22-36/37/38
- 3.1 Safety Statements
- 36/37-36-26
- 3.1 RIDADR
- 2811
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Acute toxicity - Dermal, Category 4
Acute toxicity - Inhalation, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
1073-70-7Total: 3 Synthesis Route
8. Other Information
- 8.0 BRN
- 3596254
- 8.1 Chemical Properties
- white to pink crystalline powder
- 8.2 Uses
- 4-Chlorophenylhydrazine hydrochloride is used as a pharmaceutical intermediates.
- 8.3 General Description
- 4-Chlorophenylhydrazine hydrochloride reacts with 3-acetonyl-5-cyano-1,2,4-thiadiazole to yield 5-cyano-3-(5-chloro-2-methylindol-3-yl)-1,2,4-thiadiazole and 5-cyano-3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-thiadiazole.
9. Computational chemical data
- Molecular Weight: 179.04g/mol
- Molecular Formula: C6H8Cl2N2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 178.0064537
- Monoisotopic Mass: 178.0064537
- Complexity: 79.1
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 3
- 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: 2
- CACTVS Substructure Key Fingerprint: AAADccBjAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIYAAAACAqBECAwwIBiAACAACRCQACCBAAgBwIYqAAAZogIICKBk5GAIABgkAAIyAcQAAAAAABAAAAAAAAAAIAAAAAAAAAAAAAAAA==
10. Question & Answer
-
4-Chlorophenylhydrazine hydrochloride, also known as 4-Chlorophenylhydrazine hydrochloride, is a white crystalline solid at room temperature and pressure. It is a phenylhydrazine compound and as a hyd..
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