CAS RN: 111-85-3
1-Chlorooctane
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 100ml | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20260217 | 2.5L | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260622 | 25L | In stock | Shanghai | Inquiry |
| Batchno.20260210 | 500ml | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20260502 | 5L | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-011907
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: 500ml
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500ml | ＞97% | 0 Out of Stock | Beijing | Inquiry |
111-85-3 / 1-chlorooctane
1-CHLOROOCTANE | Octyl chloride | n-Octyl chloride
Basic Information
CAS
111-85-3
Multi CAS
Yes
Molecular Formula
C8H17Cl
Molecular Weight
148.670000
Exact Mass
148.101878
SMILES
CCCCCCCCCl
InChI
InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
CNDHHGUSRIZDSL-UHFFFAOYSA-N
Synonyms
1-CHLOROOCTANE
Octyl chloride
n-Octyl chloride
Octane, 1-chloro-
Capryl chloride
Physical Properties
Melting Point
-57.8 °C
Boiling Point
181.5 °C @ 760 MM HG
Density
0.8738 @ 20 °C/4 °C
Physical Description
Liquid
Colorless liquid; [HSDB]
Appearance
COLORLESS LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
Molar refractivity
44.1
TPSA
0.0000
LogP / Solubility
WLOGP
3.59
MLOGP
3.15
XLogP3
4.7
Consensus LogP
3.81
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-1.08
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)
Health Hazard
Environmental Hazard
Signal
Danger
Warning
GHS Hazard Statements
H304 (56.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H400 (86.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (47.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H411 (55.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H227: Combustible liquid [Warning Flammable liquids]
Precautionary Statement Codes
P273, P301+P316, P331, P391, P405, and P501
P210, P273, P280, P370+P378, P391, P403, and P501
