1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
Basic information
- CAS
29025-67-0- Standard SMILES
Clc1ccc([Si]23OCCN(CCO2)CCO3)cc1- InChIKey
IKFVTMCLFHXPQF-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO3Si
- Average molar mass
- 285.8 g/mol
- Monoisotopic mass
- 285.0587976
Overview
rodenticide against rats & mice; structure
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
- IUPAC
- 1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
- English name
- 1-(p-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
- Molecular formula
- C12H16ClNO3Si
- Molecular weight
- 285.8
Names & synonyms
29025-67-05-(4-Chlorophenyl)silatrane1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane92E5GUJ2UJ1-(p-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane5-p-ChlorophenylsilatraneNSC-3101835-(p-chlorophenyl)silatrane2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(p-chlorophenyl)-1-(p-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(p-chlorophenyl)-1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
Show more names
IKFVTMCLFHXPQF-UHFFFAOYSA-N2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(4-chlorophenyl)-
RefChem:425222817-819-11-(p-Chlorophenyl)silatrane1-(4-Chlorophenyl)silatranep-ChlorophenylsilatraneCaswell No. 213BSilatrane, p-chlorophenyl-p-Chlorfenylsilatran [Czech]
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 230 · 230-235 °C
- Boiling point
- 309.9 · 309.9±42.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.20(Predicted)
- FDA UNII
- 92 E5GUJ2UJ · 92E5GUJ2UJ
- EPA Substance Registry System
- 1 · 1-(4-Chlorophenyl)silatrane (29025-67-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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