6-chloro-N-phenylpyridazin-3-amine
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Basic information
- CAS
1014-78-4- Standard SMILES
Clc1ccc(Nc2ccccc2)nn1- InChIKey
ULZCESXDSWFKGL-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.040675
Names & identifiers
- Preferred name
- 6-chloro-N-phenylpyridazin-3-amine
- IUPAC
- 6-chloro-N-phenylpyridazin-3-amine
- English name
- 6-chloro-N-phenylpyridazin-3-amine
- Molecular formula
- C10H8ClN3
- Molecular weight
- 205.64
Names & synonyms
6-chloro-N-phenylpyridazin-3-amine1014-78-4DTXSID00423311RefChem:308105DTXCID80374150MFCD036754973-Pyridazinamine, 6-chloro-N-phenyl-3-anilino-6-chloropyridazineMLS000769519SCHEMBL1319274CHEMBL1603608HMS2777M24
Show more names
BAA014786-chloro-N-phenyl-pyridazin-3-amineSTK551336AKOS005478878(6-Chloro-pyridazin-3-yl)-phenyl-amineDA-16362SMR000434240CS-0439904
Database identifiers
- CAS
1014-78-4- PubChem CID
- 6401740
- DTXSID
DTXSID00423311- ChEMBL
CHEMBL1603608
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Solubility18.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 410.2 · 410.2±30.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 3.71 · 3.71±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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