4-Butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
720667-80-1- Standard SMILES
CCCCn1c(COc2ccc(Cl)cc2)n[nH]c1=S- InChIKey
AEROGEQLUCLNFJ-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3OS
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.070261
Names & identifiers
- Preferred name
- 4-Butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-butyl-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
- English name
- 4-Butyl-5-(4-chlorophenoxymethyl)-4H-1,2,4-triazole-3-thiol
- Molecular formula
- C13H16ClN3OS
- Molecular weight
- 297.8
Names & synonyms
4-Butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol720667-80-14-butyl-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thioneMFCD051504884-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiol4-Butyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol4-butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4- triazole-3-thiol4-Butyl-5-(4-chlorophenoxymethyl)-4H-1,2,4-triazole-3-thiolJS-148CAKOS005073072ST055841CS-0455196
Show more names
SALOR-INT L321680-1EA3H-1,2,4-Triazole-3-thione, 4-butyl-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-
4-butyl-3-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione4-Butyl-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
720667-80-1- PubChem CID
- 4637286
- EC Number
- 132-652-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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)
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
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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