N'-[(E)-(2-Chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetohydrazide
Basic information
- CAS
303105-45-5- Standard SMILES
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(Cl)cc2)cc1- InChIKey
OYIBKPQGRZBZSR-UVHMKAGCSA-N- Molecular formula
- C24H18Cl2N6O3S
- Average molar mass
- 541.4 g/mol
- Monoisotopic mass
- 540.053815
Names & identifiers
- Preferred name
- N'-[(E)-(2-Chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetohydrazide
- IUPAC
- N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
- Molecular formula
- C24H18Cl2N6O3S
- Molecular weight
- 541.41
Names & synonyms
N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazideN'-((E)-(2-CHLORO-5-NITROPHENYL)METHYLIDENE)-2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDERefChem:819881303105-45-5652-566-9STK074621AKOS001615840(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazideN'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetohydrazideN-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideAcetic acid, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(2-chloro-5-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
303105-45-5- PubChem CID
- 6887515
- EC Number
- 652-566-9
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- Density
- 1.468 · 1.468±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.913 · 10.913±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H413-H319
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H413-H319
- Precautionary statements
- 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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