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CAS 447-60-9 2-(Trifluoromethyl)benzonitrile molecular structure lightbox
CAS RN: 447-60-9

2-(Trifluoromethyl)benzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250911 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
  • Product code: SSC-152728
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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: 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 447-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
5g -- 4 In Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

447-60-9 / 2-(trifluoromethyl)benzonitrile

Standard CAS: 447-60-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
447-60-9
Multi CAS
Yes
Molecular Formula
C8F3H4N
Molecular Weight
171.120000
Exact Mass
171.029584
InChI
InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChIKey
SOZGHDCEWOLLHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
36.16
TPSA
23.79

LogP / Solubility

WLOGP
2.58
MLOGP
2.26
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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