[email protected]
CAS 1070-64-0 Ethyl 6,8-dichlorooctanoate molecular structure lightbox
CAS RN: 1070-64-0

Ethyl 6,8-dichlorooctanoate

  • Product code: SSC-008476
GET A QUOTE
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: 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1070-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
100g ≥95% 1 In Stock Shanghai Inquiry

1070-64-0 / ethyl 6,8-dichlorooctanoate

Ethyl 6,8-dichlorooctanoate | 6,8-Dichlorooctanoic acid ethyl ester | OCTANOIC ACID, 6,8-DICHLORO-, ETHYL ESTER

Standard CAS: 1070-64-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070-64-0
Multi CAS
Yes
Molecular Formula
C10H18Cl2O2
Molecular Weight
241.150000
Exact Mass
240.068385
SMILES
CCOC(=O)CCCCC(CCCl)Cl
InChI
InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
InChIKey
RFYDWSNYTVVKBR-UHFFFAOYSA-N
Synonyms
Ethyl 6,8-dichlorooctanoate 6,8-Dichlorooctanoic acid ethyl ester OCTANOIC ACID, 6,8-DICHLORO-, ETHYL ESTER BRN 1771820 DTXSID30910209

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
60.08
TPSA
26.3

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.1
Consensus LogP
3.13
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.96
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Health Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H373 (14.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us