CID 6101643
Basic information
- CAS
41083-11-8- Standard SMILES
C1CC[CH]([Sn+]([CH]2CCCCC2)[CH]2CCCCC2)CC1.c1nnc[n-]1- InChIKey
ONHBDDJJTDTLIR-UHFFFAOYSA-N- Molecular formula
- C20H35N3Sn
- Average molar mass
- 436.2 g/mol
- Monoisotopic mass
- 437.185301
Overview
See also: Azocyclotin (preferred).
Names & identifiers
- Preferred name
- CID 6101643
- IUPAC
- 1,2-diaza-4-azanidacyclopenta-2,5-diene;tricyclohexylstannanylium
- English name
- Azocyclotin
- Molecular formula
- C20H35N3Sn
- Molecular weight
- 436.22
Names & synonyms
AKOS016011175PEROPALClermaitTriclotintriclotainbaybue1452PEROPAL(R)TricyclotinAZOCYCLOTINCLERMAIT(R)CLAIRMAIT(R)
Database identifiers
- CAS
41083-11-8- PubChem CID
- 6101643
Properties
Computed structural properties
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 210 ℃ · 210℃
- Boiling point
- 487.4 · 487.4±28.0 °C(Predicted)
- vapor pressure
- 2 · 2×10-11 Pa (20 °C, est.)
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 5.36 · 5.36 (weak base)
- Water Solubility
- 0.12 mg · 0.12 mg l-1 (20 °C)
- BRN
- 621636 · 621636
- Henry's Law Constant
- 4.6 · 4.6×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
- InChIKey
- ONHBDDJJTDTLIR-UHFFFAOYSA-N
- SMILES
- N1([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C=NC=N1
- CAS DataBase Reference
- 41083 · 41083-11-8(CAS DataBase Reference)
- FDA UNII
- 4 YRQ367KE · V4YRQ367KE
- NIST Chemistry Reference
- 1 H-1,2,4-triazole, · 1H-1,2,4-triazole, 1-(tricyclohexylstannyl)-(41083-11-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- WH8637700
- ridadr
- UN 2786
- risk_code
- 25-26-37/38-41-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS09
- hazard_code
- T+;N,N,T+
- safety_code
- 26-28-36/37/39-38-45-60-61
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H301-H315-H318-H330-H335-H410
- Precautionary statements
- P264-P270-P280-P260-P271-P284-P261-P273-P301+P310-P330-P302+P352-P332+P313-P362+P364-P305+P351+P338-P310-P304+P340-P312-P391-P405-P403+P233-P501
- Hazardous Substances Data
- 41083-11-8(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionAzocyclotin is an organotin acaricide which is largely considered obsolete. It has a low aqueous solubility, is non-volatile and is not expected to leach to groundwater. Data is limited but is not expected to be persistent in soil systems but may be persistent in aquatic systems under certain conditions. It is highly toxic to mammals and also has a high potential to bioaccumulate. It is thought to be a skin, eye and respiratory system irritant. It is highly toxic to fish and aquatic invertebrates and moderately toxic to birds, honeybees and earthworms.
UsesAzocyclotin is an organotin aracacide used in the control of mites. Azocyclotin showed weak antifeedant activity against other insects such as Spodoptera littoralis.
UsesAzocyclotin is used to control all motile stages of spider mites on fruit, vines, hops, cotton, vegetables and ornamentals.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a tricyclohexylstannyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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