Basic information
- CAS
478254-06-7- Standard SMILES
FC(F)(F)c1ccccc1/C=N/n1c(-c2ccccc2Cl)n[nH]c1=S- InChIKey
ICCXHHPZENPFGO-ZVBGSRNCSA-N- Molecular formula
- C16H10ClF3N4S
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.0266797
Names & identifiers
- Preferred name
- 5-(2-CL-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(2-chlorophenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L228591-1EA
- Molecular formula
- C16H10ClF3N4S
- Molecular weight
- 382.79
Names & synonyms
478254-06-75-(2-CL-PH)-4-((2-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOLRefChem:529448648-771-83-(2-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thioneSTK586755AKOS002178729AKOS005509456ST50065570(E)-5-(2-chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol4-{(1E)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-5-(2-chlorophenyl)-1,2,4-tri azole-3-thiol5-(2-chlorophenyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
SALOR-INT L228591-1EA3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-2,4-dihydro-4-[[[2-(trifluoromethyl)phenyl]methylene]amino]-
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 448.9 · 448.9±55.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, 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
- H319-H301-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…