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CAS 111-83-1 1-Bromooctane molecular structure lightbox
CAS RN: 111-83-1

1-Bromooctane

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 100g In stock Inquiry
Batchno.20251227 2.5kg In stock Inquiry
Batchno.20251206 250g In stock Inquiry
Batchno.20260329 25g In stock Inquiry
Batchno.20250623 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 100g / 500g / 2.5kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-011906
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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: 25g, 100g
  • Available purity: 99%
  • 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 111-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 99% 0 Out of Stock Shanghai Inquiry
100g 99% 0 Out of Stock Beijing Inquiry

111-83-1 / 1-bromooctane

1-Bromooctane | n-Octyl bromide | Octyl bromide

Standard CAS: 111-83-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111-83-1
Multi CAS
Yes
Molecular Formula
C8H17Br
Molecular Weight
193.120000
Exact Mass
192.051360
SMILES
CCCCCCCCBr
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
VMKOFRJSULQZRM-UHFFFAOYSA-N
Synonyms
1-Bromooctane n-Octyl bromide Octyl bromide 1-Octylbromide Octane, 1-bromo-

Physical Properties

Physical Description
Colorless liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
Molar refractivity
47.17
TPSA
0.0000

LogP / Solubility

WLOGP
3.74
MLOGP
3.29
XLogP3
4.9
Consensus LogP
3.98
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (98.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (95.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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