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CAS 112-89-0 1-Bromooctadecane molecular structure lightbox
CAS RN: 112-89-0

1-Bromooctadecane

Product Availability

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6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 100g In stock Inquiry
Batchno.20260614 25g In stock Inquiry
Batchno.20250225 500g In stock Inquiry
Batchno.20250608 5kg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 25g / 100g / 500g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-012516
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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, 500g, 1000g
  • 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 112-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry
1000g >97% 0 Out of Stock Shenzhen Inquiry

112-89-0 / 1-bromooctadecane

1-BROMOOCTADECANE | Octadecyl bromide | Octadecane, 1-bromo-

Standard CAS: 112-89-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-89-0
Multi CAS
Yes
Molecular Formula
C18H37Br
Molecular Weight
333.400000
Exact Mass
332.207860
SMILES
CCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
Synonyms
1-BROMOOCTADECANE Octadecyl bromide Octadecane, 1-bromo- AI3-00994 NSC 5542

Physical Properties

Physical Description
White odorless solid; mp = 25-30 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
Molar refractivity
93.34
TPSA
0.0000

LogP / Solubility

WLOGP
7.64
MLOGP
6.74
XLogP3
10.3
Consensus LogP
8.23
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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