[email protected]
CAS 239087-09-3 3-Fluoro-5-(trifluoromethyl)benzyl Bromide molecular structure lightbox
CAS RN: 239087-09-3

3-Fluoro-5-(trifluoromethyl)benzyl Bromide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260413 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260628 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251010 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250716 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-116815
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 239087-09-3
Pack Size Recorded Purity Available Qty Ship From 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
25g ＞97% 0 Out of Stock Shanghai Inquiry

239087-09-3 / 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene

Standard CAS: 239087-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
239087-09-3
Multi CAS
No
Molecular Formula
C8H5BrF4
Molecular Weight
257.020000
Exact Mass
255.951080
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)CBr
InChI
InChI=1S/C8H5BrF4/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2
InChIKey
LCVWAXYGYMZJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.03
TPSA
0.0000

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us