Azocyclotin
Properties
- Molecular formula
- C20H35N3Sn
- Molar mass
- 436.23 g/mol
- Exact mass
- 437.1853 Da
- Melting point
- 210 °C (decomposes)
- pKa
- 5.36
- Water solubility
- 120 µg/L
- logP
- 5.52Crippen estimate
- Polar surface area
- 39.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 050-019-00-3), via PubChem.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
41083-11-8SMILES
[CH]1CCCCC1.[CH]1CCCCC1.[CH]1CCCCC1.[Sn+].c1nc[n-]n1InChIKey
ONHBDDJJTDTLIR-UHFFFAOYSA-NInChI
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;+1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-1,2,4-Triazole, 1-(tricyclohexylstannyl)-
- 1-(Tricyclohexylstannyl)-1H-1,2,4-triazole
- Tricyclotin
- Peropal
- BAY-BUE 1452
- Caligur 500SC
Work with Azocyclotin
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds