5-(3-Chlorophenyl)-4-((2,3-dichlorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
478254-75-0- Standard SMILES
S=c1[nH]nc(-c2cccc(Cl)c2)n1/N=C/c1cccc(Cl)c1Cl- InChIKey
WZBJEXHYFRUCMI-UFWORHAWSA-N- Molecular formula
- C15H9Cl3N4S
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 381.961351
Names & identifiers
- Preferred name
- 5-(3-Chlorophenyl)-4-((2,3-dichlorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(3-chlorophenyl)-4-[(E)-(2,3-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L229458-1EA
- Molecular formula
- C15H9Cl3N4S
- Molecular weight
- 383.68
Names & synonyms
5-(3-Chlorophenyl)-4-((2,3-dichlorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol478254-75-0RefChem:529834648-794-3STK575929AKOS002178848AKOS005500324ST50065643(E)-5-(3-chlorophenyl)-4-((2,3-dichlorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(2,3-dichlorophenyl)-1-azavinyl]-5-(3-chlorophenyl)-1,2,4-triazole-3 -thiol5-(3-chlorophenyl)-4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thioneSALOR-INT L229458-1EA
Show more names
3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-4-[[(2,3-dichlorophenyl)methylene]amino]-2,4-dihydro-
Database identifiers
- CAS
478254-75-0- PubChem CID
- 6879862
- EC Number
- 648-794-3
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H315-H319-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H335-H315-H319-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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