4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
586998-39-2- Standard SMILES
Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(Cl)cc1Cl- InChIKey
SLYQHIGWIAOMIP-UFWORHAWSA-N- Molecular formula
- C15H9Cl2FN4S
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 365.990901
Names & identifiers
- Preferred name
- 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L465496-1EA
- Molecular formula
- C15H9Cl2FN4S
- Molecular weight
- 367.23
Names & synonyms
586998-39-24-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiolRefChem:508889657-523-8STK590741AKOS005513143AKOS024320297ST50423180(E)-4-((2,4-dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole-3 -thiol4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneSALOR-INT L465496-1EA
Show more names
3H-1,2,4-Triazole-3-thione, 4-[[(2,4-dichlorophenyl)methylene]amino]-5-(2-fluorophenyl)-2,4-dihydro-
Database identifiers
- CAS
586998-39-2- PubChem CID
- 6889779
- EC Number
- 657-523-8
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- 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, 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 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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