ME 4-(2-((3-(5-CL-2-Thienyl)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate
Basic information
- CAS
302918-70-3- Standard SMILES
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)[nH]n2)cc1- InChIKey
MLOGTTODJOWWOO-DJKKODMXSA-N- Molecular formula
- C17H13ClN4O3S
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.0396892
Names & identifiers
- Preferred name
- ME 4-(2-((3-(5-CL-2-Thienyl)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate
- IUPAC
- methyl 4-[(E)-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate
- English name
- (E)-methyl 4-((2-(5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl)hydrazono)methyl)benzoate
- Molecular formula
- C17H13ClN4O3S
- Molecular weight
- 388.83
Names & synonyms
302918-70-3ME 4-(2-((3-(5-CL-2-THIENYL)-1H-PYRAZOL-5-YL)CARBONYL)CARBOHYDRAZONOYL)BENZOATERefChem:810773651-496-6Methyl 4-((2-(5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl)hydrazono)methyl)benzoateAKOS000561906ST021303methyl 4-((1E)-2-{[3-(5-chloro(2-thienyl))pyrazol-5-yl]carbonylamino}-2-azavin yl)benzoate(E)-methyl 4-((2-(5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl)hydrazono)methyl)benzoate1H-Pyrazole-3-carboxylic acid, 5-(5-chloro-2-thienyl)-, 2-[[4-(methoxycarbonyl)phenyl]methylene]hydrazide
Database identifiers
- CAS
302918-70-3- PubChem CID
- 6869540
- EC Number
- 651-496-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H413-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P273, 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 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H413-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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