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CAS 124811-71-8 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE molecular structure lightbox
CAS RN: 124811-71-8

4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 1g In stock Inquiry
Batchno.20260521 25g In stock Inquiry
Batchno.20250308 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260425 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260325 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260628 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-029060
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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: 10g, 1g, 5g, 25g
  • 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 124811-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

124811-71-8 / 4-hydroxy-3-(trifluoromethyl)benzonitrile

Standard CAS: 124811-71-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
124811-71-8
Multi CAS
No
Molecular Formula
C8H4F3NO
Molecular Weight
187.120000
Exact Mass
187.024498
SMILES
C1=CC(=C(C=C1C#N)C(F)(F)F)O
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H
InChIKey
QXIFYONUKBXFTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.82
TPSA
44.02

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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