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CAS 101-38-2 2,6-Dichloroquinone-4-chloroimide molecular structure lightbox
CAS RN: 101-38-2

2,6-Dichloroquinone-4-chloroimide

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 1g / 5g / 25g / 50g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-001815
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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
  • 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 101-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

101-38-2 / 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one

2,6-Dichloroquinone-4-chloroimide | Gibbs reagent | 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone

Standard CAS: 101-38-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-38-2
Multi CAS
Yes
Molecular Formula
C6H2Cl3NO
Molecular Weight
210.400000
Exact Mass
208.920197
SMILES
C1=C(C(=O)C(=CC1=NCl)Cl)Cl
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
InChIKey
YHUMTHWQGWPJOQ-UHFFFAOYSA-N
Synonyms
2,6-Dichloroquinone-4-chloroimide Gibbs reagent 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)- 2,6-Dichloroquinone chloroimide

Physical Properties

Physical Description
Yellow solid; [Merck Index] Yellow or orange crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
H-bond acceptors
2
Molar refractivity
46.17
TPSA
29.43

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.9
Consensus LogP
2.48
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H242 (95.2%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501

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