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CAS 1078-97-3 1,4 BIS(DIMETHYLCHLOROSILYL)BENZENE molecular structure lightbox
CAS RN: 1078-97-3

1,4 BIS(DIMETHYLCHLOROSILYL)BENZENE

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4 package records2 with current stock2 grade groups
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  • Product code: starshine_CAS1078-97-3
  • Purity/Analytical Methods: >99.0%
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1078-97-3 / chloro-[4-[chloro(dimethyl)silyl]phenyl]-dimethylsilane

1,4-Bis(chlorodimethylsilyl)benzene | 1,4-Phenylenebis(chlorodimethylsilane) | EINECS 214-086-4

Standard CAS: 1078-97-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1078-97-3
Multi CAS
Yes
Molecular Formula
C10H16Cl2Si2
Molecular Weight
263.310000
Exact Mass
262.016759
SMILES
C[Si](C)(C1=CC=C(C=C1)[Si](C)(C)Cl)Cl
InChI
InChI=1S/C10H16Cl2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8H,1-4H3
InChIKey
COFLYCFUVHLITN-UHFFFAOYSA-N
Synonyms
1,4-Bis(chlorodimethylsilyl)benzene 1,4-Phenylenebis(chlorodimethylsilane) EINECS 214-086-4 Silane, 1,4-phenylenebis(chlorodimethyl- Benzene, 1,4-bis(chlorodimethylsilyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
72.38
TPSA
0.0000

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.99
Consensus LogP
2.87
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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