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CAS 1112-48-7 Bromotriethylsilane molecular structure lightbox
CAS RN: 1112-48-7

Bromotriethylsilane

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  • Product code: ICTB5890
  • Purity/Analytical Methods: >96.0%(GC)
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1112-48-7 / bromo(triethyl)silane

Bromotriethylsilane | Silane, bromotriethyl- | EINECS 214-191-5

Standard CAS: 1112-48-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1112-48-7
Multi CAS
Yes
Molecular Formula
C6H15BrSi
Molecular Weight
195.170000
Exact Mass
194.012640
SMILES
CC[Si](CC)(CC)Br
InChI
InChI=1S/C6H15BrSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
InChIKey
UCKORWKZRPKRQE-UHFFFAOYSA-N
Synonyms
Bromotriethylsilane Silane, bromotriethyl- EINECS 214-191-5 DTXSID7061489 RefChem:182853

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
46.12
TPSA
0.0000

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.39
Consensus LogP
3.25
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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