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CAS 13170-66-6 Cyclohexyl-1,4-dicarboxylchloride molecular structure lightbox
CAS RN: 13170-66-6

Cyclohexyl-1,4-dicarboxylchloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 100g In stock Shanghai Inquiry
Batchno.20250819 1g In stock Shanghai Inquiry
Batchno.20260525 25g In stock Shanghai Inquiry
Batchno.20250427 5g In stock Shanghai Inquiry
  • Product code: SSC-038840
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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: 1g
  • Available purity: ≥95%
  • 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 13170-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

13170-66-6 / cyclohexane-1,4-dicarbonyl chloride

Standard CAS: 13170-66-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13170-66-6
Multi CAS
No
Molecular Formula
C8H10Cl2O2
Molecular Weight
209.070000
Exact Mass
208.005785
SMILES
C1CC(CCC1C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C8H10Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6H,1-4H2
InChIKey
HXTYZWJVMWWWDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.17
TPSA
34.14

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.35

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H350 (66.7%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P363, P403+P233, P405, and P501

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