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CAS 1073-39-8 4-Bromobenzocyclobutene molecular structure lightbox
CAS RN: 1073-39-8

4-Bromobenzocyclobutene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260228 100g Out of stock Inquiry
Batchno.20260202 1g In stock Inquiry
Batchno.20251109 25g In stock Inquiry
Batchno.20250307 5g In stock Inquiry
  • Product code: SSC-008840
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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, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1073-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

1073-39-8 / 3-bromobicyclo[4.2.0]octa-1(6),2,4-triene

3-bromobicyclo[4.2.0]octa-1,3,5-triene | DTXSID10446374 | 3-bromobicyclo(4.2.0)octa-1,3,5-triene

Standard CAS: 1073-39-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073-39-8
Multi CAS
Yes
Molecular Formula
C8H7Br
Molecular Weight
183.040000
Exact Mass
181.973110
SMILES
C1CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C8H7Br/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2H2
InChIKey
GMHHTGYHERDNLO-UHFFFAOYSA-N
Synonyms
3-bromobicyclo[4.2.0]octa-1,3,5-triene DTXSID10446374 3-bromobicyclo(4.2.0)octa-1,3,5-triene RefChem:277742 DTXCID10397195

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
41.55
TPSA
0.0000

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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