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CAS 168971-68-4 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 168971-68-4

1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250503 100g Out of stock Inquiry
Batchno.20260401 10g In stock Shanghai Inquiry
Batchno.20260611 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260410 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260215 25g Out of stock Inquiry
Batchno.20260202 5g In stock Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250424 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250213 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250214 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251126 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-073630
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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, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 168971-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 4 In Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

168971-68-4 / 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene

Standard CAS: 168971-68-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
168971-68-4
Multi CAS
No
Molecular Formula
C7H3BrF4O
Molecular Weight
259.000000
Exact Mass
257.930340
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)Br
InChI
InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKey
KZMHSGBETSENAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.78
TPSA
9.23

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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