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{1-[4-(Methanesulfonyl)phenyl]-1H-pyrazol-4-yl}methanol

HCID 59406331
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
918967-66-5
Standard SMILES
CS(=O)(=O)c1ccc(-n2cc(CO)cn2)cc1
InChIKey
DGYKJVWNECWJKJ-UHFFFAOYSA-N
Molecular formula
C11H12N2O3S
Average molar mass
252.295 g/mol
Monoisotopic mass
252.05686324

Names & identifiers

Preferred name
{1-[4-(Methanesulfonyl)phenyl]-1H-pyrazol-4-yl}methanol
IUPAC
{1-[4-(Methanesulfonyl)phenyl]-1H-pyrazol-4-yl}methanol
English name
(1-(4-(Methylsulfonyl)phenyl)-1H-pyrazol-4-yl)methanol
Molecular formula
C11H12N2O3S
Molecular weight
252.29

Names & synonyms

1-[4-(Methylsulfonyl)phenyl]-1H-pyrazole-4-methanol1H-Pyrazole-4-methanol, 1-[4-(methylsulfonyl)phenyl]-(1-(4-(Methylsulfonyl)phenyl)-1H-pyrazol-4-yl)methanol

Database identifiers

CAS
918967-66-5
PubChem CID
59406331
DTXSID
DTXSID70731915

Properties

Physicochemical properties

Boiling point
488.1 · 488.1±45.0 °C(Predicted)
Density
1.36 · 1.36±0.1 g/cm3(Predicted)
pka
13.89 · 13.89±0.10(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

Chemistry & industry

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

4 records
New reaction record
HRID 693783 reaction equation
HRID 693783As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 954518 reaction equation
HRID 954518As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2060081 reaction equation
HRID 2060081As productuspto-grants-2012_10
HRID 2060082 reaction equation
HRID 2060082As reactantuspto-grants-2012_10

Compound notes

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