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CAS 130047-19-7 4-FLUORO-2-(TRIFLUOROMETHYL)PHENOL molecular structure lightbox
CAS RN: 130047-19-7

4-FLUORO-2-(TRIFLUOROMETHYL)PHENOL

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 100g In stock Shanghai Inquiry
Batchno.20251127 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251227 1g In stock Shanghai Inquiry
Batchno.20250603 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250124 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260605 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-036768
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • 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 130047-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry
10g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

130047-19-7 / 4-fluoro-2-(trifluoromethyl)phenol

Standard CAS: 130047-19-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130047-19-7
Multi CAS
No
Molecular Formula
C7H4F4O
Molecular Weight
180.100000
Exact Mass
180.019827
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)O
InChI
InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKey
RNOVGJWJVRESAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.07
TPSA
20.23

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.01

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (62.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (37.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (37.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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