Basic information
- CAS
160284-98-0- Standard SMILES
S=c1[nH]nc(-c2ccccc2Cl)n1/N=C/c1ccccc1Cl- InChIKey
OHQSFZHLLCFMMS-GIJQJNRQSA-N- Molecular formula
- C15H10Cl2N4S
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.0003229
Names & identifiers
- Preferred name
- 4-((2-Chlorobenzylidene)amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(2-chlorophenyl)-4-[(E)-(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L417653-1EA
- Molecular formula
- C15H10Cl2N4S
- Molecular weight
- 349.24
Names & synonyms
4-((2-Chlorobenzylidene)amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol160284-98-0RefChem:508966637-609-1AKOS002178576ST500655874-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazole-3-thi ol5-(2-chlorophenyl)-4-{[(E)-(2-chlorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfideSALOR-INT L417653-1EA
Database identifiers
- CAS
160284-98-0- PubChem CID
- 9690688
- EC Number
- 637-609-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 465.995 · 465.995±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.45 · 1.450±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.483 · 8.483±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-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, 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
- H335-H315-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
Chemistry & industry
Suppliers2 total
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
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