Basic information
- CAS
15943-84-7- Standard SMILES
Cc1cc(C(=O)O)n(-c2ccc(Cl)cc2)n1- InChIKey
MHQHJXWLBIAZGU-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 2-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
- English name
- 2-(4-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
15943-84-71-(4-chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acidDTXSID60377780RefChem:225045DTXCID103288082-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid2-(4-Chloro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acidMFCD051505851-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylicacidSCHEMBL32886472-(4-chlorophenyl)-5-methyl-pyrazole-3-carboxylic Acid1H-Pyrazole-5-carboxylic acid, 1-(4-chlorophenyl)-3-methyl-
Show more names
SBB098663AKOS017343801FS-6475CS-0324266F70166F0238041-(4-chlorophenyl)-3-methylpyrazole-5-carboxylic acid1-(4-Chloro-phenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Database identifiers
- CAS
15943-84-7- PubChem CID
- 2769596
- DTXSID
DTXSID60377780- EC Number
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 212 · 212-214 °C (decomp)(Solv: ethanol (64-17-5))
- Boiling point
- 408.8 · 408.8±35.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.36(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H351
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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