5-[1,1'-Biphenyl]-4-yl-1H-pyrazol-3-amine
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Basic information
- CAS
208519-16-8- Standard SMILES
Nc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1- InChIKey
PMNPUUUDKHRGAH-UHFFFAOYSA-N- Molecular formula
- C15H13N3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.11094743
Names & identifiers
- Preferred name
- 5-[1,1'-Biphenyl]-4-yl-1H-pyrazol-3-amine
- IUPAC
- 5-(4-phenylphenyl)-1H-pyrazol-3-amine
- English name
- 3-[1,1'-BIPHENYL]-4-YL-1H-PYRAZOL-5-YLAMINE
- Molecular formula
- C15H13N3
- Molecular weight
- 235.28
Names & synonyms
208519-16-85-[1,1'-Biphenyl]-4-yl-1H-pyrazol-3-amine5-(1,1'-Biphenyl)-4-yl-1H-pyrazol-3-amineRefChem:2991733-[1,1'-biphenyl]-4-yl-1H-pyrazol-5-ylamine3-([1,1'-Biphenyl]-4-yl)-1H-pyrazol-5-amine5-(4-phenylphenyl)-1H-pyrazol-3-amineMFCD009816003-(4-phenylphenyl)pyrazole-5-ylamine5-Biphenyl-4-yl-2H-pyrazol-3-ylamine3-{[1,1'-biphenyl]-4-yl}-1H-pyrazol-5-amineSCHEMBL6956022
Show more names
3-[1,1’5-BIPHENYL-4-YL-2H-PYRAZOL-3-YLAMINE-Biphenyl]-4-yl-1h-pyrazol-5-ylamine3-(4-phenylphenyl)-1H-pyrazol-5-amine5-{[1,1'-biphenyl]-4-yl}-1H-pyrazol-3-amine1H-Pyrazol-3-amine, 5-[1,1'-biphenyl]-4-yl-
DTXSID501270164IIA51916SBB018241STK895542AKOS000301273HC-02013-(biphenyl-4-yl)-1H-pyrazol-5-amineDB-381858
Database identifiers
- CAS
208519-16-8- PubChem CID
- 804450
- DTXSID
DTXSID501270164- EC Number
- 960-646-2
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 550.4 · 550.4±38.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 14.51 · 14.51±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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