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CAS 766-83-6 1-Chloro-3-ethynylbenzene molecular structure lightbox
CAS RN: 766-83-6

1-Chloro-3-ethynylbenzene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251130 100g Out of stock 5-7 business days Inquiry
Batchno.20260512 1g In stock Shanghai, Hebei Inquiry
Batchno.20250103 25g In stock Shanghai Inquiry
Batchno.20260210 5g In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260128 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-186033
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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: 1
  • 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 766-83-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 4 In Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

766-83-6 / 1-chloro-3-ethynylbenzene

Standard CAS: 766-83-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
766-83-6
Multi CAS
Yes
Molecular Formula
C8H5CL
Molecular Weight
136.580000
Exact Mass
136.007978
InChI
InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey
GRBJPHPMYOUMJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
39.39
TPSA
0.0000

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
3.2
Consensus LogP
2.52
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-1.91

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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