4-amino-5-(2,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
735322-57-3- Standard SMILES
Nn1c(-c2cc(Cl)ccc2Cl)n[nH]c1=S- InChIKey
DSCXMYPOTJOLEZ-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2N4S
- Average molar mass
- 261.13 g/mol
- Monoisotopic mass
- 259.9690228
Names & identifiers
- Preferred name
- 4-amino-5-(2,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-amino-3-(2,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione
- English name
- 4-Amino-5-(2,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
- Molecular formula
- C8H6Cl2N4S
- Molecular weight
- 261.13
Names & synonyms
4-amino-5-(2,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol735322-57-3RefChem:517890858-275-5MFCD046147074-amino-3-(2,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione4H-1,2,4-triazole-3-thiol, 4-amino-5-(2,5-dichlorophenyl)-ALBB-014410AKOS005174803LS-04547EN300-06787H30714
Show more names
T0518-8000ZINC038866824-amino-5-(2,5-dichlorophenyl)-2H-1,2,4-triazole-3-thione4-Amino-5-(2,5-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 4-amino-5-(2,5-dichlorophenyl)-2,4-dihydro-
SR-01000045626SR-01000045626-1Z55982084
Database identifiers
- CAS
735322-57-3- PubChem CID
- 3791997
- EC Number
- 858-275-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 378.4 · 378.4±52.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 7.67 · 7.67±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H332-H335-H318-H302-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H315-H332-H335-H318-H302-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…