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CAS 1071-22-3 Trichloro-2-cyanoethylsilane molecular structure lightbox
CAS RN: 1071-22-3

Trichloro-2-cyanoethylsilane

  • Product code: SSC-008548
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1071-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

1071-22-3 / 3-trichlorosilylpropanenitrile

2-Cyanoethyltrichlorosilane | 3-(Trichlorosilyl)propanenitrile | Trichloro(2-cyanoethyl)silane

Standard CAS: 1071-22-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1071-22-3
Multi CAS
No
Molecular Formula
C3H4Cl3NSi
Molecular Weight
188.510000
Exact Mass
186.917859
SMILES
C(C[Si](Cl)(Cl)Cl)C#N
InChI
InChI=1S/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2
InChIKey
OLBGECWYBGXCNV-UHFFFAOYSA-N
Synonyms
2-Cyanoethyltrichlorosilane 3-(Trichlorosilyl)propanenitrile Trichloro(2-cyanoethyl)silane beta-Cyanoethyltrichlorosilane Propanenitrile, 3-(trichlorosilyl)-

Physical Properties

Physical Description
Liquid Deep yellow solidified mass or fragments; mp = 35 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
38.35
TPSA
23.79

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-2.06

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)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (59.1%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (57.6%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (42.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (57.6%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (60.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P363, P405, and P501

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