Basic information
- CAS
618070-45-4- Standard SMILES
Cc1cc(C(=O)NN)n(Cc2cc(Cl)ccc2Cl)n1- InChIKey
GLQHJVVKIHFQBC-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2N4O
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 298.0388164
Names & identifiers
- Preferred name
- 1-(2,5-Dichlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
- IUPAC
- 2-[(2,5-dichlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
- English name
- 1-(2,5-Dichlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C12H12Cl2N4O
- Molecular weight
- 299.16
Names & synonyms
1-(2,5-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOHYDRAZIDE618070-45-4RefChem:420552632-196-42-[(2,5-dichlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazideAKOS024407497SALOR-INT L201324-1EA1H-Pyrazole-5-carboxylic acid, 1-[(2,5-dichlorophenyl)methyl]-3-methyl-, hydrazide
Database identifiers
- CAS
618070-45-4- PubChem CID
- 4613655
- EC Number
- 632-196-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
Aladdin Scientific[email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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