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CAS 1701-24-2 4-Chloro-2-(trifluoromethyl)quinoline molecular structure lightbox
CAS RN: 1701-24-2

4-Chloro-2-(trifluoromethyl)quinoline

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 1g In stock Shandong Inquiry
Batchno.20251005 250mg In stock Hebei Inquiry
  • Product code: SSC-074723
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 1701-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

1701-24-2 / 4-chloro-2-(trifluoromethyl)quinoline

Standard CAS: 1701-24-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1701-24-2
Multi CAS
No
Molecular Formula
C10H5ClF3N
Molecular Weight
231.600000
Exact Mass
231.006261
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKey
ONNDFDQMHCNEGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.76
TPSA
12.89

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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