Basic information
- CAS
882227-05-6- Standard SMILES
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O- InChIKey
CVLDMRYLTARUHO-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0509053
Names & identifiers
- Preferred name
- 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylic acid
Names & synonyms
1-Benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid882227-05-6RefChem:429968829-237-51-benzyl-5-chloro-3-methylpyrazole-4-carboxylic acidMLS0007599401-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic AcidSMR000370104CHEMBL1499957SCHEMBL31673654BDBM43233cid_2393574
Show more names
HMS2657C16HKB22705AKOS001042248AT29118CS-0220384EN300-06529Z569434861-Benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
882227-05-6- PubChem CID
- 2393574
- ChEMBL
CHEMBL1499957- EC Number
- 829-237-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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