1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

HCID 2777166
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
187998-35-2
Standard SMILES
Cc1c(C(=O)O)cnn1-c1ccc(Cl)cc1
InChIKey
OAPQKGGVDCZENK-UHFFFAOYSA-N
Molecular formula
C11H9ClN2O2
Average molar mass
236.65 g/mol
Monoisotopic mass
236.0352552

Names & identifiers

Preferred name
1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC
1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic acid
English name
1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Molecular formula
C11H9ClN2O2
Molecular weight
236.65

Names & synonyms

187998-35-21-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acidDTXSID80380397RefChem:225064DTXCID60331423674-155-31-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic acidMFCD015662601H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid1-(4-Chlorophenyl)-5-Methyl-1h-Pyrazole-4-CarboxylicAcidSCHEMBL1420155
Show more names
BUTTPARK 96\18-16SALOR-INT L317632-1EA1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-5-carboxylic Acid1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid - [C93313]4-Carboxy-1-(4-chlorophenyl)-5-methyl-1H-pyrazole, 4-Chloro-(4-carboxy-5-methyl-1H-pyrazol-1-yl)benzene
1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic AcidOAPQKGGVDCZENK-UHFFFAOYSA-NSBB098662AKOS000129340AS-31449SY063881CS-0153494EN300-27336

Database identifiers

CAS
187998-35-2
PubChem CID
2777166
DTXSID
DTXSID80380397
EC Number
674-155-3

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
201 °C · 201 °C
Boiling point
406.3 · 406.3±35.0 °C(Predicted)
Density
1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
3.29 · 3.29±0.25(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

hs_code
2933199090
Signal word
Warning
Symbol(GHS)
GHS02
Hazard statements
H226
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Chemistry & industry

Suppliers41 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海业立嘉实业有限公司13564383169 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

Loading…