1-[(2,5-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1480360-32-4- Standard SMILES
O=C(O)c1ccn(Cc2cc(Cl)ccc2Cl)n1- InChIKey
BNMCXJNOQKUHAB-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2O2
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 269.9962829
Names & identifiers
- Preferred name
- 1-[(2,5-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-[(2,5-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
Names & synonyms
1480360-32-41-[(2,5-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid1-((2,5-dichlorophenyl)methyl)-1H-pyrazole-3-carboxylic acidRefChem:418250870-061-3AKOS014651546EN300-23421387Z1259125620
Database identifiers
- CAS
1480360-32-4- PubChem CID
- 65316544
- EC Number
- 870-061-3
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 291
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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