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CAS 705-31-7 1-Ethynyl-4-(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 705-31-7

1-Ethynyl-4-(trifluoromethyl)benzene

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260408 100g Out of stock Inquiry
Batchno.20250630 1g In stock Inquiry
Batchno.20250419 200mg In stock Inquiry
Batchno.20250606 25g In stock Inquiry
Batchno.20260517 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
  • Product code: SSC-180274
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 705-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 5 In Stock Shenzhen Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 3 In Stock Beijing Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 2 In Stock Shenzhen Inquiry

705-31-7 / 1-ethynyl-4-(trifluoromethyl)benzene

Standard CAS: 705-31-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
705-31-7
Multi CAS
Yes
Molecular Formula
C9F3H5
Molecular Weight
170.130000
Exact Mass
170.034335
InChI
InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChIKey
XTKBMZQCDBHHKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.38
TPSA
0.0000

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
3.2
Consensus LogP
2.75
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-1.85

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

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