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CAS 142421-57-6 BIS(3,5-DI(TRIFLUOROMETHYL)PHENYL)CHLOROPHOSPHINE molecular structure lightbox
CAS RN: 142421-57-6

BIS(3,5-DI(TRIFLUOROMETHYL)PHENYL)CHLOROPHOSPHINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-053264
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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: 1g
  • Available purity: ≥95%
  • 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 142421-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

142421-57-6 / bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane

Standard CAS: 142421-57-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142421-57-6
Multi CAS
No
Molecular Formula
C16H6ClF12P
Molecular Weight
492.620000
Exact Mass
491.970403
SMILES
C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C16H6ClF12P/c17-30(11-3-7(13(18,19)20)1-8(4-11)14(21,22)23)12-5-9(15(24,25)26)2-10(6-12)16(27,28)29/h1-6H
InChIKey
DFZQEHBNAJGDCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
12
Molar refractivity
84.93
TPSA
0.0000

LogP / Solubility

WLOGP
7.35
MLOGP
6.5
XLogP3
7.4
Consensus LogP
7.08
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H261 (90.7%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P231+P232, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501

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