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CAS 766-81-4 1-Bromo-3-ethynylbenzene molecular structure lightbox
CAS RN: 766-81-4

1-Bromo-3-ethynylbenzene

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 100g Out of stock Inquiry
Batchno.20250525 1g In stock Inquiry
Batchno.20250114 250mg In stock Inquiry
Batchno.20250707 25g In stock Inquiry
Batchno.20250824 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260613 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
  • Product code: SSC-186031
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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: ≥98%
  • Inventory rows with stock: 2
  • 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 766-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 2 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

766-81-4 / 2-bromoethynylbenzene

Standard CAS: 766-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
766-81-4
Multi CAS
Yes
Molecular Formula
C8H5BR
Molecular Weight
181.030000
Exact Mass
179.957460
InChI
InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
InChIKey
BPVHWNVBBDHIQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
42.25
TPSA
0.0000

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
3.6
Consensus LogP
2.7
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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