[email protected]
CAS 261951-70-6 4-Fluoro-3-methylbenzyl bromide molecular structure lightbox
CAS RN: 261951-70-6

4-Fluoro-3-methylbenzyl bromide

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250914 100g In stock Inquiry
Batchno.20250823 1g In stock Inquiry
Batchno.20251006 25g In stock Inquiry
Batchno.20250917 5g In stock Inquiry
  • Product code: SSC-123309
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: 5g
  • 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 261951-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

261951-70-6 / 4-(bromomethyl)-1-fluoro-2-methylbenzene

Standard CAS: 261951-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261951-70-6
Multi CAS
No
Molecular Formula
C8H8BrF
Molecular Weight
203.050000
Exact Mass
201.979340
SMILES
CC1=C(C=CC(=C1)CBr)F
InChI
InChI=1S/C8H8BrF/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5H2,1H3
InChIKey
ZZGGOSDHWXCOCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.77
TPSA
0.0000

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.9
Consensus LogP
2.87
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-1.81

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