Basic information
- CAS
303106-35-6- Standard SMILES
CC(C)c1cc(C(=O)N/N=C/c2ccccc2Cl)n[nH]1- InChIKey
WDKCGISYJVSXPB-LZYBPNLTSA-N- Molecular formula
- C14H15ClN4O
- Average molar mass
- 290.75 g/mol
- Monoisotopic mass
- 290.0934388
Names & identifiers
- Preferred name
- N'-(2-Chlorobenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(2-chlorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Names & synonyms
N'-(2-Chlorobenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide303106-35-6RefChem:820232652-452-9AKOS001026711SR-01000109178SR-01000109178-1Z56798101
Database identifiers
- CAS
303106-35-6- PubChem CID
- 6900546
- EC Number
- 652-452-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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