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CAS 1124-19-2 Phenyltin Trichloride molecular structure lightbox
CAS RN: 1124-19-2

Phenyltin Trichloride

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260509 5g In stock Shanghai Inquiry
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Batchno.20260126 5g Out of stock Inquiry
  • Product code: ICTP1282
  • Purity/Analytical Methods: >98.0%(T)
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1124-19-2 / trichloro(phenyl)stannane

Trichlorophenylstannane | RefChem:899244 | 214-393-3

Standard CAS: 1124-19-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1124-19-2
Multi CAS
Yes
Molecular Formula
C6H5Cl3Sn
Molecular Weight
302.200000
Exact Mass
301.847886
SMILES
C1=CC=C(C=C1)[Sn](Cl)(Cl)Cl
InChI
InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
InChIKey
UBOGEXSQACVGEC-UHFFFAOYSA-K
Synonyms
Trichlorophenylstannane RefChem:899244 214-393-3 PHENYLTIN TRICHLORIDE trichloro(phenyl)stannane

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
49.39
TPSA
0.0000

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (91.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501

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