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CAS 886761-96-2 2-BROMO-5-FLUOROPHENYLACETONITRILE molecular structure lightbox
CAS RN: 886761-96-2

2-BROMO-5-FLUOROPHENYLACETONITRILE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100g In stock Inquiry
Batchno.20250420 10g In stock Inquiry
Batchno.20250829 1g In stock Inquiry
Batchno.20260423 25g In stock Inquiry
Batchno.20260107 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-200120
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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: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 886761-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

886761-96-2 / 2-(2-bromo-5-fluorophenyl)acetonitrile

Standard CAS: 886761-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886761-96-2
Multi CAS
No
Molecular Formula
BC8H5NRf
Molecular Weight
214.030000
Exact Mass
212.958940
InChI
InChI=1S/C8H5BrFN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
InChIKey
KTNJFIQOVKEQFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.42
TPSA
23.79

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

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