1-((4-Bromophenyl)sulfonyl)-1H-pyrazole
Basic information
- CAS
560105-21-7- Standard SMILES
O=S(=O)(c1ccc(Br)cc1)n1cccn1- InChIKey
MKXODXRBCKOVIV-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O2S
- Average molar mass
- 287.14 g/mol
- Monoisotopic mass
- 285.94116
Names & identifiers
- Preferred name
- 1-((4-Bromophenyl)sulfonyl)-1H-pyrazole
- IUPAC
- 1-(4-bromophenyl)sulfonylpyrazole
- English name
- 1-(4-Bromobenzene)sulfonylpyrazole
- Molecular formula
- C9H7BrN2O2S
- Molecular weight
- 287.13
Names & synonyms
560105-21-71-((4-Bromophenyl)sulfonyl)-1H-pyrazoleDTXSID403571261-[(4-bromophenyl)sulfonyl]-1H-pyrazoleRefChem:222111DTXCID103081851-(4-Bromobenzene)sulfonylpyrazole1-(4-bromophenyl)sulfonylpyrazoleMFCD03385070F3318-05251-(4-Bromobenzene-1-sulfonyl)-1H-pyrazoleCambridge id 7283120
Show more names
1H-Pyrazole, 1-[(4-bromophenyl)sulfonyl]-
SMSSF-0056533STK4322354-bromo-1-(pyrazolylsulfonyl)benzeneAKOS0022877231-(4-bromophenylsulfonyl-1H-pyrazole)BS-28568CS-0210206ST50808834
Database identifiers
- CAS
560105-21-7- PubChem CID
- 844586
- DTXSID
DTXSID40357126
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 425 · 425.0±47.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- -5.06 · -5.06±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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